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Small datasets are common in health research. However, the generalization performance of machine learning models is suboptimal when the training datasets are small. To address this, data augmentation is one solution. Augmentation increases sample size and is seen as a form of regularization that increases the diversity of small datasets, leading them to perform better on unseen data. We found that augmentation improves prognostic performance for datasets that: have fewer observations, with smaller baseline AUC, have higher cardinality categorical variables, and have more balanced outcome variables. No specific generative model consistently outperformed the others. We developed a decision support model that can be used to inform analysts if augmentation would be useful. For seven small application datasets, augmenting the existing data results in an increase in AUC between 4.31% (AUC from 0.71 to 0.75) and 43.23% (AUC from 0.51 to 0.73), with an average 15.55% relative improvement, demonstrating the nontrivial impact of augmentation on small datasets (p=0.0078). Augmentation AUC was higher than resampling only AUC (p=0.016). The diversity of augmented datasets was higher than the diversity of resampled datasets (p=0.046).

Subset selection is a fundamental problem in combinatorial optimization, which has a wide range of applications such as influence maximization and sparse regression. The goal is to select a subset of limited size from a ground set in order to maximize a given objective function. However, the evaluation of the objective function in real-world scenarios is often noisy. Previous algorithms, including the greedy algorithm and multi-objective evolutionary algorithms POSS and PONSS, either struggle in noisy environments or consume excessive computational resources. In this paper, we focus on the noisy subset selection problem with a cardinality constraint, where the evaluation of a subset is noisy. We propose a novel approach based on Pareto Optimization with Robust Evaluation for noisy subset selection (PORE), which maximizes a robust evaluation function and minimizes the subset size simultaneously. PORE can efficiently identify well-structured solutions and handle computational resources, addressing the limitations observed in PONSS. Our experiments, conducted on real-world datasets for influence maximization and sparse regression, demonstrate that PORE significantly outperforms previous methods, including the classical greedy algorithm, POSS, and PONSS. Further validation through ablation studies confirms the effectiveness of our robust evaluation function.

Most functional materials possess one single outstanding property and are limited to be used for a particular purpose. Instead of integrating materials with different functions into one module, designing materials with controllable multi-functions is more promising for the electronic industry. In this study, we investigate an unexplored alpha-phase of two-dimensional (2D) Mn2B2(OH)2 theoretically. Eighteen distinct electrical polarizations, characterized by three different magnitudes and twelve different directions, are found in this phase. The switch of the electrical polarizations is also linked to an observed splitting of band structures between different spin states and the ferroelasticity of the system. The manipulation of these properties can be realized through controlling the alignment of Mn-OH-Mn chains. Additionally, the approximately honeycomb lattice for the atomic layer of boron indicate the potential superconductivity in the system. The diverse and tunable properties make the proposed material as an outstanding candidate for sensing applications at the 2D limit., Comment: Accepted by Physical Review B

DarkSHINE is a newly proposed fixed-target experiment initiative to search for the invisible decay of Dark Photon via missing energy/momentum signatures, based on the high repetition rate electron beam to be deployed/delivered by the Shanghai High repetition rate XFEL and Extreme light facility (SHINE). This report elaborates the baseline design of DarkSHINE experiment by introducing the physics goals, experimental setups, details of each sub-detector system technical designs, signal and backgground modelings, expected search sensitivities and future prospects, which mark an important step towards the further prototyping and technical demonstrations.

In Natural Language Processing (NLP), Large Language Models (LLMs) have demonstrated high text generation quality. However, in real-world applications, LLMs must meet increasingly complex requirements. Beyond avoiding misleading or inappropriate content, LLMs are also expected to cater to specific user needs, such as imitating particular writing styles or generating text with poetic richness. These varied demands have driven the development of Controllable Text Generation (CTG) techniques, which ensure that outputs adhere to predefined control conditions--such as safety, sentiment, thematic consistency, and linguistic style--while maintaining high standards of helpfulness, fluency, and diversity. This paper systematically reviews the latest advancements in CTG for LLMs, offering a comprehensive definition of its core concepts and clarifying the requirements for control conditions and text quality. We categorize CTG tasks into two primary types: content control and attribute control. The key methods are discussed, including model retraining, fine-tuning, reinforcement learning, prompt engineering, latent space manipulation, and decoding-time intervention. We analyze each method's characteristics, advantages, and limitations, providing nuanced insights for achieving generation control. Additionally, we review CTG evaluation methods, summarize its applications across domains, and address key challenges in current research, including reduced fluency and practicality. We also propose several appeals, such as placing greater emphasis on real-world applications in future research. This paper aims to offer valuable guidance to researchers and developers in the field. Our reference list and Chinese version are open-sourced at https://github.com/IAAR-Shanghai/CTGSurvey., Comment: 52 pages, 11 figures, 7 tables, 11 equations

Subset selection with cost constraints aims to select a subset from a ground set to maximize a monotone objective function without exceeding a given budget, which has various applications such as influence maximization and maximum coverage. In real-world scenarios, the budget, representing available resources, may change over time, which requires that algorithms must adapt quickly to new budgets. However, in this dynamic environment, previous algorithms either lack theoretical guarantees or require a long running time. The state-of-the-art algorithm, POMC, is a Pareto optimization approach designed for static problems, lacking consideration for dynamic problems. In this paper, we propose BPODC, enhancing POMC with biased selection and warm-up strategies tailored for dynamic environments. We focus on the ability of BPODC to leverage existing computational results while adapting to budget changes. We prove that BPODC can maintain the best known $(\alpha_f/2)(1-e^{-\alpha_f})$-approximation guarantee when the budget changes. Experiments on influence maximization and maximum coverage show that BPODC adapts more effectively and rapidly to budget changes, with a running time that is less than that of the static greedy algorithm., Comment: This paper has appeared at PPSN'24

Peptide vaccines are growing in significance for fighting diverse diseases. Machine learning has improved the identification of peptides that can trigger immune responses, and the main challenge of peptide vaccine design now lies in selecting an effective subset of peptides due to the allelic diversity among individuals. Previous works mainly formulated this task as a constrained optimization problem, aiming to maximize the expected number of peptide-Major Histocompatibility Complex (peptide-MHC) bindings across a broad range of populations by selecting a subset of diverse peptides with limited size; and employed a greedy algorithm, whose performance, however, may be limited due to the greedy nature. In this paper, we propose a new framework PVD-EMO based on Evolutionary Multi-objective Optimization, which reformulates Peptide Vaccine Design as a bi-objective optimization problem that maximizes the expected number of peptide-MHC bindings and minimizes the number of selected peptides simultaneously, and employs a Multi-Objective Evolutionary Algorithm (MOEA) to solve it. We also incorporate warm-start and repair strategies into MOEAs to improve efficiency and performance. We prove that the warm-start strategy ensures that PVD-EMO maintains the same worst-case approximation guarantee as the previous greedy algorithm, and meanwhile, the EMO framework can help avoid local optima. Experiments on a peptide vaccine design for COVID-19, caused by the SARS-CoV-2 virus, demonstrate the superiority of PVD-EMO., Comment: This paper has appeared at IJCAI'24

We investigate the properties of oxygen-functionalized carbides of lanthanide elements with the composition M2CO2 (M=Gd, Tb,Dy) that form two-dimensional (2D) structures. Our ab initio calculations reveal that oxygen termination turns M2C monolayers into semiconductors with two dynamically stable phases. Of these, the energetically favored alpha-phase becomes ferroelectric, whereas the beta-phase turns anti-ferroelectric. Applying in-plane biaxial strain may transform one phase into the other, changes the ferroelectric polarization of the alpha-phase in a linear fashion, and modifies the size and nature of the fundamental band gap from direct to indirect. The structure with a direct band gap exhibits in-plane isotropic electronic and optical properties. This previously unexplored class of systems also exhibits excellent photon absorption in the ultraviolet range.

This paper describes the technical and conceptual development of the LuminLab platform, an online tool that integrates a purpose-fit human-centric AI chatbot and predictive energy model into a streamlined front-end that can rapidly produce and discuss building retrofit plans in natural language. The platform provides users with the ability to engage with a range of possible retrofit pathways tailored to their individual budget and building needs on-demand. Given the complicated and costly nature of building retrofit projects, which rely on a variety of stakeholder groups with differing goals and incentives, we feel that AI-powered tools such as this have the potential to pragmatically de-silo knowledge, improve communication, and empower individual homeowners to undertake incremental retrofit projects that might not happen otherwise.

Building Energy Rating (BER) stands as a pivotal metric, enabling building owners, policymakers, and urban planners to understand the energy-saving potential through improving building energy efficiency. As such, enhancing buildings' BER levels is expected to directly contribute to the reduction of carbon emissions and promote climate improvement. Nonetheless, the BER assessment process is vulnerable to missing and inaccurate measurements. In this study, we introduce \texttt{CLEAR}, a data-driven approach designed to scrutinize the inconsistencies in BER assessments through self-supervised contrastive learning. We validated the effectiveness of \texttt{CLEAR} using a dataset representing Irish building stocks. Our experiments uncovered evidence of inconsistent BER assessments, highlighting measurement data corruption within this real-world dataset.

The study of precision medicine involves dynamic treatment regimes (DTRs), which are sequences of treatment decision rules recommended by taking patient-level information as input. The primary goal of the DTR study is to identify an optimal DTR, a sequence of treatment decision rules that leads to the best expected clinical outcome. Statistical methods have been developed in recent years to estimate an optimal DTR, including Q-learning, a regression-based method in the DTR literature. Although there are many studies concerning Q-learning, little attention has been given in the presence of noisy data, such as misclassified outcomes. In this paper, we investigate the effect of outcome misclassification on Q-learning and propose a correction method to accommodate the misclassification effect. Simulation studies are conducted to demonstrate the satisfactory performance of the proposed method. We illustrate the proposed method in two examples from the National Health and Nutrition Examination Survey Data I Epidemiologic Follow-up Study and the smoking cessation program.

Dynamic treatment regimes (DTRs) have received an increasing interest in recent years. DTRs are sequences of treatment decision rules tailored to patient-level information. The main goal of the DTR study is to identify an optimal DTR, a sequence of treatment decision rules that yields the best expected clinical outcome. Q-learning has been considered as one of the most popular regression-based methods to estimate the optimal DTR. However, it is rarely studied in an error-prone setting, where the patient information is contaminated with measurement error. In this paper, we study the effect of covariate measurement error on Q-learning and propose a correction method to correct the measurement error in Q-learning. Simulation studies are conducted to assess the performance of the proposed method in Q-learning. We illustrate the use of the proposed method in an application to the sequenced treatment alternatives to relieve depression data.