Despite the mounting anticipation for the quantum revolution, the success of Quantum Machine Learning (QML) in the Noisy Intermediate-Scale Quantum (NISQ) era hinges on a largely unexplored factor: the generalization error bound, a cornerstone of robust and reliable machine learning models. Current QML research, while exploring novel algorithms and applications extensively, is predominantly situated in the context of noise-free, ideal quantum computers. However, Quantum Circuit (QC) operations in NISQ-era devices are susceptible to various noise sources and errors. In this article, we conduct a Systematic Mapping Study (SMS) to explore the state-of-the-art generalization bound for supervised QML in NISQ-era and analyze the latest practices in the field. Our study systematically summarizes the existing computational platforms with quantum hardware, datasets, optimization techniques, and the common properties of the bounds found in the literature. We further present the performance accuracy of various approaches in classical benchmark datasets like the MNIST and IRIS datasets. The SMS also highlights the limitations and challenges in QML in the NISQ era and discusses future research directions to advance the field. Using a detailed Boolean operators query in five reliable indexers, we collected 544 papers and filtered them to a small set of 37 relevant articles. This filtration was done following the best practice of SMS with well-defined research questions and inclusion and exclusion criteria.

Multimodal affective computing (MAC) has garnered increasing attention due to its broad applications in analyzing human behaviors and intentions, especially in text-dominated multimodal affective computing field. This survey presents the recent trends of multimodal affective computing from NLP perspective through four hot tasks: multimodal sentiment analysis, multimodal emotion recognition in conversation, multimodal aspect-based sentiment analysis and multimodal multi-label emotion recognition. The goal of this survey is to explore the current landscape of multimodal affective research, identify development trends, and highlight the similarities and differences across various tasks, offering a comprehensive report on the recent progress in multimodal affective computing from an NLP perspective. This survey covers the formalization of tasks, provides an overview of relevant works, describes benchmark datasets, and details the evaluation metrics for each task. Additionally, it briefly discusses research in multimodal affective computing involving facial expressions, acoustic signals, physiological signals, and emotion causes. Additionally, we discuss the technical approaches, challenges, and future directions in multimodal affective computing. To support further research, we released a repository that compiles related works in multimodal affective computing, providing detailed resources and references for the community.

Machine/deep learning models have been widely adopted for predicting the configuration performance of software systems. However, a crucial yet unaddressed challenge is how to cater for the sparsity inherited from the configuration landscape: the influence of configuration options (features) and the distribution of data samples are highly sparse. In this paper, we propose a model-agnostic and sparsity-robust framework for predicting configuration performance, dubbed DaL, based on the new paradigm of dividable learning that builds a model via "divide-and-learn". To handle sample sparsity, the samples from the configuration landscape are divided into distant divisions, for each of which we build a sparse local model, e.g., regularized Hierarchical Interaction Neural Network, to deal with the feature sparsity. A newly given configuration would then be assigned to the right model of division for the final prediction. Further, DaL adaptively determines the optimal number of divisions required for a system and sample size without any extra training or profiling. Experiment results from 12 real-world systems and five sets of training data reveal that, compared with the state-of-the-art approaches, DaL performs no worse than the best counterpart on 44 out of 60 cases with up to 1.61x improvement on accuracy; requires fewer samples to reach the same/better accuracy; and producing acceptable training overhead. In particular, the mechanism that adapted the parameter d can reach the optimal value for 76.43% of the individual runs. The result also confirms that the paradigm of dividable learning is more suitable than other similar paradigms such as ensemble learning for predicting configuration performance. Practically, DaL considerably improves different global models when using them as the underlying local models, which further strengthens its flexibility.

Molecular dynamics simulations are a crucial computational tool for researchers to understand and engineer molecular structure and function in areas such as drug discovery, protein engineering, and material design. Despite their utility, MD simulations are expensive, owing to the high dimensionality of molecular systems. Interactive molecular dynamics in virtual reality (iMD-VR) has recently been developed as a 'human-in-the-loop' strategy, which leverages high-performance computing to accelerate the researcher's ability to solve the hyperdimensional sampling problem. By providing an immersive 3D environment that enables visualization and manipulation of real-time molecular motion, iMD-VR enables researchers and students to efficiently and intuitively explore and navigate these complex, high-dimensional systems. iMD-VR platforms offer a unique opportunity to quickly generate rich datasets that capture human experts' spatial insight regarding molecular structure and function. This paper explores the possibility of employing user-generated iMD-VR datasets to train AI agents via imitation learning (IL). IL is an important technique in robotics that enables agents to mimic complex behaviors from expert demonstrations, thus circumventing the need for explicit programming or intricate reward design. We review the utilization of IL for manipulation tasks in robotics and discuss how iMD-VR recordings could be used to train IL models for solving specific molecular 'tasks'. We then investigate how such approaches could be applied to the data captured from iMD-VR recordings. Finally, we outline the future research directions and potential challenges of using AI agents to augment human expertise to efficiently navigate conformational spaces, highlighting how this approach could provide valuable insight across domains such as materials science, protein engineering, and computer-aided drug design.

Existing text representations such as embeddings and bag-of-words are not suitable for rule learning due to their high dimensionality and absent or questionable feature-level interpretability. This article explores whether large language models (LLMs) could address this by extracting a small number of interpretable features from text. We demonstrate this process on two datasets (CORD-19 and M17+) containing several thousand scientific articles from multiple disciplines and a target being a proxy for research impact. An evaluation based on testing for the statistically significant correlation with research impact has shown that LLama 2-generated features are semantically meaningful. We consequently used these generated features in text classification to predict the binary target variable representing the citation rate for the CORD-19 dataset and the ordinal 5-class target representing an expert-awarded grade in the M17+ dataset. Machine-learning models trained on the LLM-generated features provided similar predictive performance to the state-of-the-art embedding model SciBERT for scientific text. The LLM used only 62 features compared to 768 features in SciBERT embeddings, and these features were directly interpretable, corresponding to notions such as article methodological rigor, novelty, or grammatical correctness. As the final step, we extract a small number of well-interpretable action rules. Consistently competitive results obtained with the same LLM feature set across both thematically diverse datasets show that this approach generalizes across domains.

This work presents a deep reinforcement learning-based approach to train controllers for the autonomous loading of ore piles with a Load-Haul-Dump (LHD) machine. These controllers must perform a complete loading maneuver, filling the LHD's bucket with material while avoiding wheel drift, dumping material, or getting stuck in the pile. The training process is conducted entirely in simulation, using a simple environment that leverages the Fundamental Equation of Earth-Moving Mechanics so as to achieve a low computational cost. Two different types of policies are trained: one with a hybrid action space and another with a continuous action space. The RL-based policies are evaluated both in simulation and in the real world using a scaled LHD and a scaled muck pile, and their performance is compared to that of a heuristics-based controller and human teleoperation. Additional real-world experiments are performed to assess the robustness of the RL-based policies to measurement errors in the characterization of the piles. Overall, the RL-based controllers show good performance in the real world, achieving fill factors between 71-94%, and less wheel drift than the other baselines during the loading maneuvers. A video showing the training environment and the learned behavior in simulation, as well as some of the performed experiments in the real world, can be found in https://youtu.be/jOpA1rkwhDY.

Pretraining on large-scale, unstructured internet text has enabled language models to acquire a significant amount of world knowledge. However, this knowledge acquisition is data-inefficient -- to learn a given fact, models must be trained on hundreds to thousands of diverse representations of it. This poses a challenge when adapting a pretrained model to a small corpus of domain-specific documents, where each fact may appear rarely or only once. We propose to bridge this gap with synthetic continued pretraining: using the small domain-specific corpus to synthesize a large corpus more amenable to learning, and then performing continued pretraining on the synthesized corpus. We instantiate this proposal with EntiGraph, a synthetic data augmentation algorithm that extracts salient entities from the source documents and then generates diverse text by drawing connections between the sampled entities. Synthetic continued pretraining using EntiGraph enables a language model to answer questions and follow generic instructions related to the source documents without access to them. If instead, the source documents are available at inference time, we show that the knowledge acquired through our approach compounds with retrieval-augmented generation. To better understand these results, we build a simple mathematical model of EntiGraph, and show how synthetic data augmentation can "rearrange" knowledge to enable more data-efficient learning.

We introduce VidLPRO, a novel video-language (VL) pre-training framework designed specifically for robotic and laparoscopic surgery. While existing surgical VL models primarily rely on contrastive learning, we propose a more comprehensive approach to capture the intricate temporal dynamics and align video with language. VidLPRO integrates video-text contrastive learning, video-text matching, and masked language modeling objectives to learn rich VL representations. To support this framework, we present GenSurg+, a carefully curated dataset derived from GenSurgery, comprising 17k surgical video clips paired with captions generated by GPT-4 using transcripts extracted by the Whisper model. This dataset addresses the need for large-scale, high-quality VL data in the surgical domain. Extensive experiments on benchmark datasets, including Cholec80 and AutoLaparo, demonstrate the efficacy of our approach. VidLPRO achieves state-of-the-art performance in zero-shot surgical phase recognition, significantly outperforming existing surgical VL models such as SurgVLP and HecVL. Our model demonstrates improvements of up to 21.5\% in accuracy and 15.7% in F1 score, setting a new benchmark in the field. Notably, VidLPRO exhibits robust performance even with single-frame inference, while effectively scaling with increased temporal context. Ablation studies reveal the impact of frame sampling strategies on model performance and computational efficiency. These results underscore VidLPRO's potential as a foundation model for surgical video understanding.

Knowledge Graph-to-Text (G2T) generation involves verbalizing structured knowledge graphs into natural language text. Recent advancements in Pretrained Language Models (PLMs) have improved G2T performance, but their effectiveness depends on datasets with precise graph-text alignment. However, the scarcity of high-quality, general-domain G2T generation datasets restricts progress in the general-domain G2T generation research. To address this issue, we introduce Wikipedia Ontology-Free Graph-text dataset (WikiOFGraph), a new large-scale G2T dataset generated using a novel method that leverages Large Language Model (LLM) and Data-QuestEval. Our new dataset, which contains 5.85M general-domain graph-text pairs, offers high graph-text consistency without relying on external ontologies. Experimental results demonstrate that PLM fine-tuned on WikiOFGraph outperforms those trained on other datasets across various evaluation metrics. Our method proves to be a scalable and effective solution for generating high-quality G2T data, significantly advancing the field of G2T generation.

Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) have demonstrated impressive language/vision reasoning abilities, igniting the recent trend of building agents for targeted applications such as shopping assistants or AI software engineers. Recently, many data science benchmarks have been proposed to investigate their performance in the data science domain. However, existing data science benchmarks still fall short when compared to real-world data science applications due to their simplified settings. To bridge this gap, we introduce DSBench, a comprehensive benchmark designed to evaluate data science agents with realistic tasks. This benchmark includes 466 data analysis tasks and 74 data modeling tasks, sourced from Eloquence and Kaggle competitions. DSBench offers a realistic setting by encompassing long contexts, multimodal task backgrounds, reasoning with large data files and multi-table structures, and performing end-to-end data modeling tasks. Our evaluation of state-of-the-art LLMs, LVLMs, and agents shows that they struggle with most tasks, with the best agent solving only 34.12% of data analysis tasks and achieving a 34.74% Relative Performance Gap (RPG). These findings underscore the need for further advancements in developing more practical, intelligent, and autonomous data science agents.