With the widespread application of Large Language Models (LLMs) to various domains, concerns regarding the trustworthiness of LLMs in safety-critical scenarios have been raised, due to their unpredictable tendency to hallucinate and generate misinformation. Existing LLMs do not have an inherent functionality to provide the users with an uncertainty metric for each response it generates, making it difficult to evaluate trustworthiness. Although a number of works aim to develop uncertainty quantification methods for LLMs, they have fundamental limitations, such as being restricted to classification tasks, requiring additional training and data, considering only lexical instead of semantic information, and being prompt-wise but not response-wise. A new framework is proposed in this paper to address these issues. Semantic density extracts uncertainty information for each response from a probability distribution perspective in semantic space. It has no restriction on task types and is "off-the-shelf" for new models and tasks. Experiments on seven state-of-the-art LLMs, including the latest Llama 3 and Mixtral-8x22B models, on four free-form question-answering benchmarks demonstrate the superior performance and robustness of semantic density compared to prior approaches.

Glycans are basic biomolecules and perform essential functions within living organisms. The rapid increase of functional glycan data provides a good opportunity for machine learning solutions to glycan understanding. However, there still lacks a standard machine learning benchmark for glycan function prediction. In this work, we fill this blank by building a comprehensive benchmark for Glycan Machine Learning (GlycanML). The GlycanML benchmark consists of diverse types of tasks including glycan taxonomy prediction, glycan immunogenicity prediction, glycosylation type prediction, and protein-glycan interaction prediction. Glycans can be represented by both sequences and graphs in GlycanML, which enables us to extensively evaluate sequence-based models and graph neural networks (GNNs) on benchmark tasks. Furthermore, by concurrently performing eight glycan taxonomy prediction tasks, we introduce the GlycanML-MTL testbed for multi-task learning (MTL) algorithms. Experimental results show the superiority of modeling glycans with multi-relational GNNs, and suitable MTL methods can further boost model performance. We provide all datasets and source codes at https://github.com/GlycanML/GlycanML and maintain a leaderboard at https://GlycanML.github.io/project

Many hyper-personalized AI systems profile people's characteristics (e.g., personality traits) to provide personalized recommendations. These systems are increasingly used to facilitate interactions among people, such as providing teammate recommendations. Despite improved accuracy, such systems are not immune to errors when making inferences about people's most personal traits. These errors manifested as AI misrepresentations. However, the repercussions of such AI misrepresentations are unclear, especially on people's reactions and perceptions of the AI. We present two studies to examine how people react and perceive the AI after encountering personality misrepresentations in AI-facilitated team matching in a higher education context. Through semi-structured interviews (n=20) and a survey experiment (n=198), we pinpoint how people's existing and newly acquired AI knowledge could shape their perceptions and reactions of the AI after encountering AI misrepresentations. Specifically, we identified three rationales that people adopted through knowledge acquired from AI (mis)representations: AI works like a machine, human, and/or magic. These rationales are highly connected to people's reactions of over-trusting, rationalizing, and forgiving of AI misrepresentations. Finally, we found that people's existing AI knowledge, i.e., AI literacy, could moderate people's changes in their trust in AI after encountering AI misrepresentations, but not changes in people's social perceptions of AI. We discuss the role of people's AI knowledge when facing AI fallibility and implications for designing responsible mitigation and repair strategies.

Machine learning (ML) provides algorithms to create computer programs based on data without explicitly programming them. In business process management (BPM), ML applications are used to analyse and improve processes efficiently. Three frequent examples of using ML are providing decision support through predictions, discovering accurate process models, and improving resource allocation. This paper organises the body of knowledge on ML in BPM. We extract BPM tasks from different literature streams, summarise them under the phases of a process`s lifecycle, explain how ML helps perform these tasks and identify technical commonalities in ML implementations across tasks. This study is the first exhaustive review of how ML has been used in BPM. We hope that it can open the door for a new era of cumulative research by helping researchers to identify relevant preliminary work and then combine and further develop existing approaches in a focused fashion. Our paper helps managers and consultants to find ML applications that are relevant in the current project phase of a BPM initiative, like redesigning a business process. We also offer - as a synthesis of our review - a research agenda that spreads ten avenues for future research, including applying novel ML concepts like federated learning, addressing less regarded BPM lifecycle phases like process identification, and delivering ML applications with a focus on end-users.

Skills are effective temporal abstractions established for sequential decision making tasks, which enable efficient hierarchical learning for long-horizon tasks and facilitate multi-task learning through their transferability. Despite extensive research, research gaps remain in multi-agent scenarios, particularly for automatically extracting subgroup coordination patterns in a multi-agent task. In this case, we propose two novel auto-encoder schemes: VO-MASD-3D and VO-MASD-Hier, to simultaneously capture subgroup- and temporal-level abstractions and form multi-agent skills, which firstly solves the aforementioned challenge. An essential algorithm component of these schemes is a dynamic grouping function that can automatically detect latent subgroups based on agent interactions in a task. Notably, our method can be applied to offline multi-task data, and the discovered subgroup skills can be transferred across relevant tasks without retraining. Empirical evaluations on StarCraft tasks indicate that our approach significantly outperforms existing methods regarding applying skills in multi-agent reinforcement learning (MARL). Moreover, skills discovered using our method can effectively reduce the learning difficulty in MARL scenarios with delayed and sparse reward signals.

Federated Learning (FL) is a privacy-preserving distributed machine learning paradigm. Nonetheless, the substantial distribution shifts among clients pose a considerable challenge to the performance of current FL algorithms. To mitigate this challenge, various methods have been proposed to enhance the FL training process. This paper endeavors to tackle the issue of data heterogeneity from another perspective -- by improving FL algorithms prior to the actual training stage. Specifically, we introduce the Client2Vec mechanism, which generates a unique client index for each client before the commencement of FL training. Subsequently, we leverage the generated client index to enhance the subsequent FL training process. To demonstrate the effectiveness of the proposed Client2Vec method, we conduct three case studies that assess the impact of the client index on the FL training process. These case studies encompass enhanced client sampling, model aggregation, and local training. Extensive experiments conducted on diverse datasets and model architectures show the efficacy of Client2Vec across all three case studies. Our code is avaliable at \url{https://github.com/LINs-lab/client2vec}.

The fine-tuning of deep pre-trained models has recently revealed compositional properties. This enables the arbitrary composition of multiple specialized modules into a single, multi-task model. However, identifying the conditions that promote compositionality remains an open issue, with recent efforts concentrating mainly on linearized networks. We conduct a theoretical study that attempts to demystify compositionality in standard non-linear networks through the second-order Taylor approximation of the loss function. The proposed formulation highlights the importance of staying within the pre-training basin for achieving composable modules. Moreover, it provides the basis for two dual incremental training algorithms: the one from the perspective of multiple models trained individually, while the other aims to optimize the composed model as a whole. We probe their application in incremental classification tasks and highlight some valuable skills. In fact, the pool of incrementally learned modules not only supports the creation of an effective multi-task model but also enables unlearning and specialization in specific tasks.

We present RoboArm-NMP, a learning and evaluation environment that allows simple and thorough evaluations of Neural Motion Planning (NMP) algorithms, focused on robotic manipulators. Our Python-based environment provides baseline implementations for learning control policies (either supervised or reinforcement learning based), a simulator based on PyBullet, data of solved instances using a classical motion planning solver, various representation learning methods for encoding the obstacles, and a clean interface between the learning and planning frameworks. Using RoboArm-NMP, we compare several prominent NMP design points, and demonstrate that the best methods mostly succeed in generalizing to unseen goals in a scene with fixed obstacles, but have difficulty in generalizing to unseen obstacle configurations, suggesting focus points for future research.

The popularity of data science as a discipline and its importance in the emerging economy and industrial progress dictate that machine learning be democratized for the masses. This also means that the current practice of workforce training using machine learning tools, which requires low-level statistical and algorithmic details, is a barrier that needs to be addressed. Similar to data management languages such as SQL, machine learning needs to be practiced at a conceptual level to help make it a staple tool for general users. In particular, the technical sophistication demanded by existing machine learning frameworks is prohibitive for many scientists who are not computationally savvy or well versed in machine learning techniques. The learning curve to use the needed machine learning tools is also too high for them to take advantage of these powerful platforms to rapidly advance science. In this paper, we introduce a new declarative machine learning query language, called {\em MQL}, for naive users. We discuss its merit and possible ways of implementing it over a traditional relational database system. We discuss two materials science experiments implemented using MQL on a materials science workflow system called MatFlow.

This paper describes our approach for SemEval-2024 Task 9: BRAINTEASER: A Novel Task Defying Common Sense. The BRAINTEASER task comprises multiple-choice Question Answering designed to evaluate the models' lateral thinking capabilities. It consists of Sentence Puzzle and Word Puzzle subtasks that require models to defy default common-sense associations and exhibit unconventional thinking. We propose a unique strategy to improve the performance of pre-trained language models, notably the Gemini 1.0 Pro Model, in both subtasks. We employ static and dynamic few-shot prompting techniques and introduce a model-generated reasoning strategy that utilizes the LLM's reasoning capabilities to improve performance. Our approach demonstrated significant improvements, showing that it performed better than the baseline models by a considerable margin but fell short of performing as well as the human annotators, thus highlighting the efficacy of the proposed strategies.