We address the conflicting requirements of a multi-agent assignment problem through constrained reinforcement learning, emphasizing the inadequacy of standard regularization techniques for this purpose. Instead, we recur to a state augmentation approach in which the oscillation of dual variables is exploited by agents to alternate between tasks. In addition, we coordinate the actions of the multiple agents acting on their local states through these multipliers, which are gossiped through a communication network, eliminating the need to access other agent states. By these means, we propose a distributed multi-agent assignment protocol with theoretical feasibility guarantees that we corroborate in a monitoring numerical experiment.

Simulating a single trajectory of a dynamical system under some state-dependent policy is a core bottleneck in policy optimization algorithms. The many inherently serial policy evaluations that must be performed in a single simulation constitute the bulk of this bottleneck. To wit, in applying policy optimization to supply chain optimization (SCO) problems, simulating a single month of a supply chain can take several hours. We present an iterative algorithm for policy simulation, which we dub Picard Iteration. This scheme carefully assigns policy evaluation tasks to independent processes. Within an iteration, a single process evaluates the policy only on its assigned tasks while assuming a certain 'cached' evaluation for other tasks; the cache is updated at the end of the iteration. Implemented on GPUs, this scheme admits batched evaluation of the policy on a single trajectory. We prove that the structure afforded by many SCO problems allows convergence in a small number of iterations, independent of the horizon. We demonstrate practical speedups of 400x on large-scale SCO problems even with a single GPU, and also demonstrate practical efficacy in other RL environments.

The rapid development of cutting-edge technologies, the increasing volume of data and also the availability and processability of new types of data sources has led to a paradigm shift in data-based management and decision-making. Since business processes are at the core of organizational work, these developments heavily impact business process management (BPM) as a crucial success factor for organizations. In view of this emerging potential, data-driven business process management has become a relevant and vibrant research area. Given the complexity and interdisciplinarity of the research field, this position paper therefore presents research insights regarding data-driven BPM.

In the burgeoning field of Large Language Models (LLMs), developing a robust safety mechanism, colloquially known as "safeguards" or "guardrails", has become imperative to ensure the ethical use of LLMs within prescribed boundaries. This article provides a systematic literature review on the current status of this critical mechanism. It discusses its major challenges and how it can be enhanced into a comprehensive mechanism dealing with ethical issues in various contexts. First, the paper elucidates the current landscape of safeguarding mechanisms that major LLM service providers and the open-source community employ. This is followed by the techniques to evaluate, analyze, and enhance some (un)desirable properties that a guardrail might want to enforce, such as hallucinations, fairness, privacy, and so on. Based on them, we review techniques to circumvent these controls (i.e., attacks), to defend the attacks, and to reinforce the guardrails. While the techniques mentioned above represent the current status and the active research trends, we also discuss several challenges that cannot be easily dealt with by the methods and present our vision on how to implement a comprehensive guardrail through the full consideration of multi-disciplinary approach, neural-symbolic method, and systems development lifecycle.

Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often struggle to capture the fine-grained interactions between drugs and protein, i.e. the binding of specific drug atoms (or substructures) and key amino acids of proteins, which is crucial for understanding the binding mechanisms and optimising drug design. To address this issue, this paper introduces a novel model, called FusionDTI, which uses a token-level Fusion module to effectively learn fine-grained information for Drug-Target Interaction. In particular, our FusionDTI model uses the SELFIES representation of drugs to mitigate sequence fragment invalidation and incorporates the structure-aware (SA) vocabulary of target proteins to address the limitation of amino acid sequences in structural information, additionally leveraging pre-trained language models extensively trained on large-scale biomedical datasets as encoders to capture the complex information of drugs and targets. Experiments on three well-known benchmark datasets show that our proposed FusionDTI model achieves the best performance in DTI prediction compared with seven existing state-of-the-art baselines. Furthermore, our case study indicates that FusionDTI could highlight the potential binding sites, enhancing the explainability of the DTI prediction.

Subgroup-discovery methods allow users to obtain simple descriptions of interesting regions in a dataset. Using constraints in subgroup discovery can enhance interpretability even further. In this article, we focus on two types of constraints: First, we limit the number of features used in subgroup descriptions, making the latter sparse. Second, we propose the novel optimization problem of finding alternative subgroup descriptions, which cover a similar set of data objects as a given subgroup but use different features. We describe how to integrate both constraint types into heuristic subgroup-discovery methods. Further, we propose a novel Satisfiability Modulo Theories (SMT) formulation of subgroup discovery as a white-box optimization problem, which allows solver-based search for subgroups and is open to a variety of constraint types. Additionally, we prove that both constraint types lead to an NP-hard optimization problem. Finally, we employ 27 binary-classification datasets to compare heuristic and solver-based search for unconstrained and constrained subgroup discovery. We observe that heuristic search methods often yield high-quality subgroups within a short runtime, also in scenarios with constraints.

Due to the widespread use of large language models (LLMs) in ubiquitous systems, we need to understand whether they embed a specific worldview and what these views reflect. Recent studies report that, prompted with political questionnaires, LLMs show left-liberal leanings (Feng et al., 2023; Motoki et al., 2024). However, it is as yet unclear whether these leanings are reliable (robust to prompt variations) and whether the leaning is consistent across policies and political leaning. We propose a series of tests which assess the reliability and consistency of LLMs' stances on political statements based on a dataset of voting-advice questionnaires collected from seven EU countries and annotated for policy domains. We study LLMs ranging in size from 7B to 70B parameters and find that their reliability increases with parameter count. Larger models show overall stronger alignment with left-leaning parties but differ among policy programs: They evince a (left-wing) positive stance towards environment protection, social welfare state and liberal society but also (right-wing) law and order, with no consistent preferences in foreign policy and migration.

Bioacoustic research provides invaluable insights into the behavior, ecology, and conservation of animals. Most bioacoustic datasets consist of long recordings where events of interest, such as vocalizations, are exceedingly rare. Analyzing these datasets poses a monumental challenge to researchers, where deep learning techniques have emerged as a standard method. Their adaptation remains challenging, focusing on models conceived for computer vision, where the audio waveforms are engineered into spectrographic representations for training and inference. We improve the current state of deep learning in bioacoustics in two ways: First, we present the animal2vec framework: a fully interpretable transformer model and self-supervised training scheme tailored for sparse and unbalanced bioacoustic data. Second, we openly publish MeerKAT: Meerkat Kalahari Audio Transcripts, a large-scale dataset containing audio collected via biologgers deployed on free-ranging meerkats with a length of over 1068h, of which 184h have twelve time-resolved vocalization-type classes, each with ms-resolution, making it the largest publicly-available labeled dataset on terrestrial mammals. Further, we benchmark animal2vec against the NIPS4Bplus birdsong dataset. We report new state-of-the-art results on both datasets and evaluate the few-shot capabilities of animal2vec of labeled training data. Finally, we perform ablation studies to highlight the differences between our architecture and a vanilla transformer baseline for human-produced sounds. animal2vec allows researchers to classify massive amounts of sparse bioacoustic data even with little ground truth information available. In addition, the MeerKAT dataset is the first large-scale, millisecond-resolution corpus for benchmarking bioacoustic models in the pretrain/finetune paradigm. We believe this sets the stage for a new reference point for bioacoustics.

The task of reasoning over Knowledge Graphs (KGs) poses a significant challenge for Large Language Models (LLMs) due to the complex structure and large amounts of irrelevant information. Existing LLM reasoning methods overlook the importance of compositional learning on KG to supply with precise knowledge. Besides, the fine-tuning and frequent interaction with LLMs incur substantial time and resource costs. This paper focuses on the Question Answering over Knowledge Graph (KGQA) task and proposes an Explore-then-Determine (EtD) framework that synergizes LLMs with graph neural networks (GNNs) for reasoning over KGs. The Explore stage employs a lightweight GNN to explore promising candidates and relevant fine-grained knowledge to the questions, while the Determine stage utilizes the explored information to construct a knowledge-enhanced multiple-choice prompt, guiding a frozen LLM to determine the final answer. Extensive experiments on three benchmark KGQA datasets demonstrate that EtD achieves state-of-the-art performance and generates faithful reasoning results.

To some, the advent of artificial intelligence (AI) promises better decision-making and increased military effectiveness while reducing the influence of human error and emotions. However, there is still debate about how AI systems, especially large language models (LLMs), behave compared to humans in high-stakes military decision-making scenarios with the potential for increased risks towards escalation and unnecessary conflicts. To test this potential and scrutinize the use of LLMs for such purposes, we use a new wargame experiment with 107 national security experts designed to look at crisis escalation in a fictional US-China scenario and compare human players to LLM-simulated responses in separate simulations. Wargames have a long history in the development of military strategy and the response of nations to threats or attacks. Here, we show a considerable high-level agreement in the LLM and human responses and significant quantitative and qualitative differences in individual actions and strategic tendencies. These differences depend on intrinsic biases in LLMs regarding the appropriate level of violence following strategic instructions, the choice of LLM, and whether the LLMs are tasked to decide for a team of players directly or first to simulate dialog between players. When simulating the dialog, the discussions lack quality and maintain a farcical harmony. The LLM simulations cannot account for human player characteristics, showing no significant difference even for extreme traits, such as "pacifist" or "aggressive sociopath". Our results motivate policymakers to be cautious before granting autonomy or following AI-based strategy recommendations.