Automated hyperparameter search in machine learning, especially for deep learning models, is typically formulated as a bilevel optimization problem, with hyperparameter values determined by the upper level and the model learning achieved by the lower-level problem. Most of the existing bilevel optimization solutions either assume the uniqueness of the optimal training model given hyperparameters or adopt an optimistic view when the non-uniqueness issue emerges. Potential model uncertainty may arise when training complex models with limited data, especially when the uniqueness assumption is violated. Thus, the suitability of the optimistic view underlying current bilevel hyperparameter optimization solutions is questionable. In this paper, we propose pessimistic bilevel hyperparameter optimization to assure appropriate outer-level hyperparameters to better generalize the inner-level learned models, by explicitly incorporating potential uncertainty of the inner-level solution set. To solve the resulting computationally challenging pessimistic bilevel optimization problem, we develop a novel relaxation-based approximation method. It derives pessimistic solutions with more robust prediction models. In our empirical studies of automated hyperparameter search for binary linear classifiers, pessimistic solutions have demonstrated better prediction performances than optimistic counterparts when we have limited training data or perturbed testing data, showing the necessity of considering pessimistic solutions besides existing optimistic ones.

Retractions play a vital role in maintaining scientific integrity, yet systematic studies of retractions in computer science and other STEM fields remain scarce. We present WithdrarXiv, the first large-scale dataset of withdrawn papers from arXiv, containing over 14,000 papers and their associated retraction comments spanning the repository's entire history through September 2024. Through careful analysis of author comments, we develop a comprehensive taxonomy of retraction reasons, identifying 10 distinct categories ranging from critical errors to policy violations. We demonstrate a simple yet highly accurate zero-shot automatic categorization of retraction reasons, achieving a weighted average F1-score of 0.96. Additionally, we release WithdrarXiv-SciFy, an enriched version including scripts for parsed full-text PDFs, specifically designed to enable research in scientific feasibility studies, claim verification, and automated theorem proving. These findings provide valuable insights for improving scientific quality control and automated verification systems. Finally, and most importantly, we discuss ethical issues and take a number of steps to implement responsible data release while fostering open science in this area.

Autonomous and semi-autonomous systems are using deep learning models to improve decision-making. However, deep classifiers can be overly confident in their incorrect predictions, a major issue especially in safety-critical domains. The present study introduces three foundational desiderata for developing real-world risk-aware classification systems. Expanding upon the previously proposed Evidential Deep Learning (EDL), we demonstrate the unity between these principles and EDL's operational attributes. We then augment EDL empowering autonomous agents to exercise discretion during structured decision-making when uncertainty and risks are inherent. We rigorously examine empirical scenarios to substantiate these theoretical innovations. In contrast to existing risk-aware classifiers, our proposed methodologies consistently exhibit superior performance, underscoring their transformative potential in risk-conscious classification strategies.

The production of multiple Higgs bosons at the CERN LHC provides a direct way to measure the trilinear and quartic Higgs self-interaction strengths as well as potential access to beyond the standard model effects that can enhance production at large transverse momentum $p_{\mathrm{T}}$. The largest event fraction arises from the fully hadronic final state in which every Higgs boson decays to a bottom quark-antiquark pair ($b\bar{b}$). This introduces a combinatorial challenge known as the \emph{jet assignment problem}: assigning jets to sets representing Higgs boson candidates. Symmetry-preserving attention networks (SPA-Nets) have been been developed to address this challenge. However, the complexity of jet assignment increases when simultaneously considering both $H\rightarrow b\bar{b}$ reconstruction possibilities, i.e., two "resolved" small-radius jets each containing a shower initiated by a $b$-quark or one "boosted" large-radius jet containing a merged shower initiated by a $b\bar{b}$ pair. The latter improves the reconstruction efficiency at high $p_{\mathrm{T}}$. In this work, we introduce a generalization to the SPA-Net approach to simultaneously consider both boosted and resolved reconstruction possibilities and unambiguously interpret an event as "fully resolved'', "fully boosted", or in between. We report the performance of baseline methods, the original SPA-Net approach, and our generalized version on nonresonant $HH$ and $HHH$ production at the LHC. Considering both boosted and resolved topologies, our SPA-Net approach increases the Higgs boson reconstruction purity by 57--62\% and the efficiency by 23--38\% compared to the baseline method depending on the final state.

Traditional sociological research often relies on human participation, which, though effective, is expensive, challenging to scale, and with ethical concerns. Recent advancements in large language models (LLMs) highlight their potential to simulate human behavior, enabling the replication of individual responses and facilitating studies on many interdisciplinary studies. In this paper, we conduct a comprehensive survey of this field, illustrating the recent progress in simulation driven by LLM-empowered agents. We categorize the simulations into three types: (1) Individual Simulation, which mimics specific individuals or demographic groups; (2) Scenario Simulation, where multiple agents collaborate to achieve goals within specific contexts; and (3) Society Simulation, which models interactions within agent societies to reflect the complexity and variety of real-world dynamics. These simulations follow a progression, ranging from detailed individual modeling to large-scale societal phenomena. We provide a detailed discussion of each simulation type, including the architecture or key components of the simulation, the classification of objectives or scenarios and the evaluation method. Afterward, we summarize commonly used datasets and benchmarks. Finally, we discuss the trends across these three types of simulation. A repository for the related sources is at {\url{https://github.com/FudanDISC/SocialAgent}}.

3D situational awareness is critical for any autonomous system. However, when operating underwater, environmental conditions often dictate the use of acoustic sensors. These acoustic sensors are plagued by high noise and a lack of 3D information in sonar imagery, motivating the use of an orthogonal pair of imaging sonars to recover 3D perceptual data. Thus far, mapping systems in this area only use a subset of the available data at discrete timesteps and rely on object-level prior information in the environment to develop high-coverage 3D maps. Moreover, simple repeating objects must be present to build high-coverage maps. In this work, we propose a submap-based mapping system integrated with a simultaneous localization and mapping (SLAM) system to produce dense, 3D maps of complex unknown environments with varying densities of simple repeating objects. We compare this submapping approach to our previous works in this area, analyzing simple and highly complex environments, such as submerged aircraft. We analyze the tradeoffs between a submapping-based approach and our previous work leveraging simple repeating objects. We show where each method is well-motivated and where they fall short. Importantly, our proposed use of submapping achieves an advance in underwater situational awareness with wide aperture multi-beam imaging sonar, moving toward generalized large-scale dense 3D mapping capability for fully unknown complex environments.

In this paper we provide a novel mathematical optimization based methodology to perturb the features of a given observation to be re-classified, by a tree ensemble classification rule, to a certain desired class. The method is based on these facts: the most viable changes for an observation to reach the desired class do not always coincide with the closest distance point (in the feature space) of the target class; individuals put effort on a few number of features to reach the desired class; and each individual is endowed with a probability to change each of its features to a given value, which determines the overall probability of changing to the target class. Putting all together, we provide different methods to find the features where the individuals must exert effort to maximize the probability to reach the target class. Our method also allows us to rank the most important features in the tree-ensemble. The proposed methodology is tested on a real dataset, validating the proposal.

Data is essential to train and fine-tune today's frontier artificial intelligence (AI) models and to develop future ones. To date, academic, legal, and regulatory work has primarily addressed how data can directly harm consumers and creators, such as through privacy breaches, copyright infringements, and bias and discrimination. Our work, instead, focuses on the comparatively neglected question of how data can enable new governance capacities for frontier AI models. This approach for "frontier data governance" opens up new avenues for monitoring and mitigating risks from advanced AI models, particularly as they scale and acquire specific dangerous capabilities. Still, frontier data governance faces challenges that stem from the fundamental properties of data itself: data is non-rival, often non-excludable, easily replicable, and increasingly synthesizable. Despite these inherent difficulties, we propose a set of policy mechanisms targeting key actors along the data supply chain, including data producers, aggregators, model developers, and data vendors. We provide a brief overview of 15 governance mechanisms, of which we centrally introduce five, underexplored policy recommendations. These include developing canary tokens to detect unauthorized use for producers; (automated) data filtering to remove malicious content for pre-training and post-training datasets; mandatory dataset reporting requirements for developers and vendors; improved security for datasets and data generation algorithms; and know-your-customer requirements for vendors. By considering data not just as a source of potential harm, but as a critical governance lever, this work aims to equip policymakers with a new tool for the governance and regulation of frontier AI models.

Accurate prediction of medical conditions with straight past clinical evidence is a long-sought topic in the medical management and health insurance field. Although great progress has been made with machine learning algorithms, the medical community is still skeptical about the model accuracy and interpretability. This paper presents an innovative hierarchical attention deep learning model to achieve better prediction and clear interpretability that can be easily understood by medical professionals. This paper developed an Interpretable Hierarchical Attention Network (IHAN). IHAN uses a hierarchical attention structure that matches naturally with the medical history data structure and reflects patients encounter (date of service) sequence. The model attention structure consists of 3 levels: (1) attention on the medical code types (diagnosis codes, procedure codes, lab test results, and prescription drugs), (2) attention on the sequential medical encounters within a type, (3) attention on the individual medical codes within an encounter and type. This model is applied to predict the occurrence of stage 3 chronic kidney disease (CKD), using three years medical history of Medicare Advantage (MA) members from an American nationwide health insurance company. The model takes members medical events, both claims and Electronic Medical Records (EMR) data, as input, makes a prediction of stage 3 CKD and calculates contribution from individual events to the predicted outcome.

It is beyond dispute that the potential benefits of artificial intelligence (AI) in military intelligence are considerable. Nevertheless, it remains uncertain precisely how AI can enhance the analysis of military data. The aim of this study is to address this issue. To this end, the AI demonstrator deepCOM was developed in collaboration with the start-up Aleph Alpha. The AI functions include text search, automatic text summarization and Named Entity Recognition (NER). These are evaluated for their added value in military analysis. It is demonstrated that under time pressure, the utilization of AI functions results in assessments clearly superior to that of the control group. Nevertheless, despite the demonstrably superior analysis outcome in the experimental group, no increase in confidence in the accuracy of their own analyses was observed. Finally, the paper identifies the limitations of employing AI in military intelligence, particularly in the context of analyzing ambiguous and contradictory information.