Incorporating Quantum Advantage in Quantum Circuit Generation through Genetic Programming

Designing efficient quantum circuits that leverage quantum advantage compared to classical computing has become increasingly critical. Genetic algorithms have shown potential in generating such circuits through artificial evolution. However, integrating quantum advantage into the fitness function of these algorithms remains unexplored. In this paper, we aim to enhance the efficiency of quantum circuit design by proposing two novel approaches for incorporating quantum advantage metrics into the fitness function of genetic algorithms.1 We evaluate our approaches based on the Bernstein-Vazirani Problem and the Unstructured Database Search Problem as test cases. The results demonstrate that our approaches not only improve the convergence speed of the genetic algorithm but also produce circuits comparable to expert-designed solutions. Our findings suggest that automated quantum circuit design using genetic algorithms that incorporate a measure of quantum advantage is a promising approach to accelerating the development of quantum algorithms.

Large Physics Models: Towards a collaborative approach with Large Language Models and Foundation Models

This paper explores ideas and provides a potential roadmap for the development and evaluation of physics-specific large-scale AI models, which we call Large Physics Models (LPMs). These models, based on foundation models such as Large Language Models (LLMs) - trained on broad data - are tailored to address the demands of physics research. LPMs can function independently or as part of an integrated framework. This framework can incorporate specialized tools, including symbolic reasoning modules for mathematical manipulations, frameworks to analyse specific experimental and simulated data, and mechanisms for synthesizing theories and scientific literature. We begin by examining whether the physics community should actively develop and refine dedicated models, rather than relying solely on commercial LLMs. We then outline how LPMs can be realized through interdisciplinary collaboration among experts in physics, computer science, and philosophy of science. To integrate these models effectively, we identify three key pillars: Development, Evaluation, and Philosophical Reflection. Development focuses on constructing models capable of processing physics texts, mathematical formulations, and diverse physical data. Evaluation assesses accuracy and reliability by testing and benchmarking. Finally, Philosophical Reflection encompasses the analysis of broader implications of LLMs in physics, including their potential to generate new scientific understanding and what novel collaboration dynamics might arise in research. Inspired by the organizational structure of experimental collaborations in particle physics, we propose a similarly interdisciplinary and collaborative approach to building and refining Large Physics Models. This roadmap provides specific objectives, defines pathways to achieve them, and identifies challenges that must be addressed to realise physics-specific large scale AI models.

Graph-Guided Textual Explanation Generation Framework

Natural language explanations (NLEs) are commonly used to provide plausible free-text explanations of a model's reasoning about its predictions. However, recent work has questioned the faithfulness of NLEs, as they may not accurately reflect the model's internal reasoning process regarding its predicted answer. In contrast, highlight explanations -- input fragments identified as critical for the model's predictions -- exhibit measurable faithfulness, which has been incrementally improved through existing research. Building on this foundation, we propose G-Tex, a Graph-Guided Textual Explanation Generation framework designed to enhance the faithfulness of NLEs by leveraging highlight explanations. Specifically, highlight explanations are extracted as highly faithful cues representing the model's reasoning and are subsequently encoded through a graph neural network layer, which explicitly guides the NLE generation process. This alignment ensures that the generated explanations closely reflect the model's underlying reasoning. Experiments on T5 and BART using three reasoning datasets show that G-Tex improves NLE faithfulness by up to 17.59% compared to baseline methods. Additionally, G-Tex generates NLEs with greater semantic and lexical similarity to human-written ones. Human evaluations show that G-Tex can decrease redundant content and enhance the overall quality of NLEs. As our work introduces a novel method for explicitly guiding NLE generation to improve faithfulness, we hope it will serve as a stepping stone for addressing additional criteria for NLE and generated text overall.

The Effects of Hallucinations in Synthetic Training Data for Relation Extraction

Relation extraction is crucial for constructing knowledge graphs, with large high-quality datasets serving as the foundation for training, fine-tuning, and evaluating models. Generative data augmentation (GDA) is a common approach to expand such datasets. However, this approach often introduces hallucinations, such as spurious facts, whose impact on relation extraction remains underexplored. In this paper, we examine the effects of hallucinations on the performance of relation extraction on the document and sentence levels. Our empirical study reveals that hallucinations considerably compromise the ability of models to extract relations from text, with recall reductions between 19.1% and 39.2%. We identify that relevant hallucinations impair the model's performance, while irrelevant hallucinations have a minimal impact. Additionally, we develop methods for the detection of hallucinations to improve data quality and model performance. Our approaches successfully classify texts as either 'hallucinated' or 'clean,' achieving high F1-scores of 83.8% and 92.2%. These methods not only assist in removing hallucinations but also help in estimating their prevalence within datasets, which is crucial for selecting high-quality data. Overall, our work confirms the profound impact of relevant hallucinations on the effectiveness of relation extraction models.

Knowledge Graph Structure as Prompt: Improving Small Language Models Capabilities for Knowledge-based Causal Discovery

Causal discovery aims to estimate causal structures among variables based on observational data. Large Language Models (LLMs) offer a fresh perspective to tackle the causal discovery problem by reasoning on the metadata associated with variables rather than their actual data values, an approach referred to as knowledge-based causal discovery. In this paper, we investigate the capabilities of Small Language Models (SLMs, defined as LLMs with fewer than 1 billion parameters) with prompt-based learning for knowledge-based causal discovery. Specifically, we present KG Structure as Prompt, a novel approach for integrating structural information from a knowledge graph, such as common neighbor nodes and metapaths, into prompt-based learning to enhance the capabilities of SLMs. Experimental results on three types of biomedical and open-domain datasets under few-shot settings demonstrate the effectiveness of our approach, surpassing most baselines and even conventional fine-tuning approaches trained on full datasets. Our findings further highlight the strong capabilities of SLMs: in combination with knowledge graphs and prompt-based learning, SLMs demonstrate the potential to surpass LLMs with larger number of parameters. Our code and datasets are available on GitHub.

AutoRDF2GML: Facilitating RDF Integration in Graph Machine Learning

In this paper, we introduce AutoRDF2GML, a framework designed to convert RDF data into data representations tailored for graph machine learning tasks. AutoRDF2GML enables, for the first time, the creation of both content-based features -- i.e., features based on RDF datatype properties -- and topology-based features -- i.e., features based on RDF object properties. Characterized by automated feature extraction, AutoRDF2GML makes it possible even for users less familiar with RDF and SPARQL to generate data representations ready for graph machine learning tasks, such as link prediction, node classification, and graph classification. Furthermore, we present four new benchmark datasets for graph machine learning, created from large RDF knowledge graphs using our framework. These datasets serve as valuable resources for evaluating graph machine learning approaches, such as graph neural networks. Overall, our framework effectively bridges the gap between the Graph Machine Learning and Semantic Web communities, paving the way for RDF-based machine learning applications.

ComplexTempQA: A Large-Scale Dataset for Complex Temporal Question Answering

We introduce ComplexTempQA,a large-scale dataset consisting of over 100 million question-answer pairs designed to tackle the challenges in temporal question answering. ComplexTempQA significantly surpasses existing benchmarks like HOTPOTQA, TORQUE, and TEQUILA in scale and scope. Utilizing data from Wikipedia and Wikidata, the dataset covers questions spanning over two decades and offers an unmatched breadth of topics. We introduce a unique taxonomy that categorizes questions as attributes, comparisons, and counting questions, each revolving around events, entities, and time periods. One standout feature of ComplexTempQA is the high complexity of its questions, which demand effective capabilities for answering such as across-time comparison, temporal aggregation, and multi-hop reasoning involving temporal event ordering and entity recognition. Additionally, each question is accompanied by detailed metadata, including specific time scopes, allowing for comprehensive evaluation and enhancement of the temporal reasoning abilities of large language models. ComplexTempQA serves both as a testing ground for developing sophisticated AI models and as a foundation for advancing research in question answering, information retrieval, and language understanding. Dataset and code are freely available at: https://github.com/DataScienceUIBK/ComplexTempQA.

GraSAME: Injecting Token-Level Structural Information to Pretrained Language Models via Graph-guided Self-Attention Mechanism

Pretrained Language Models (PLMs) benefit from external knowledge stored in graph structures for various downstream tasks. However, bridging the modality gap between graph structures and text remains a significant challenge. Traditional methods like linearizing graphs for PLMs lose vital graph connectivity, whereas Graph Neural Networks (GNNs) require cumbersome processes for integration into PLMs. In this work, we propose a novel graph-guided self-attention mechanism, GraSAME. GraSAME seamlessly incorporates token-level structural information into PLMs without necessitating additional alignment or concatenation efforts. As an end-to-end, lightweight multimodal module, GraSAME follows a multi-task learning strategy and effectively bridges the gap between graph and textual modalities, facilitating dynamic interactions between GNNs and PLMs. Our experiments on the graph-to-text generation task demonstrate that GraSAME outperforms baseline models and achieves results comparable to state-of-the-art (SOTA) models on WebNLG datasets. Furthermore, compared to SOTA models, GraSAME eliminates the need for extra pre-training tasks to adjust graph inputs and reduces the number of trainable parameters by over 100 million.

GreeDy and CoDy: Counterfactual Explainers for Dynamic Graphs

Temporal Graph Neural Networks (TGNNs), crucial for modeling dynamic graphs with time-varying interactions, face a significant challenge in explainability due to their complex model structure. Counterfactual explanations, crucial for understanding model decisions, examine how input graph changes affect outcomes. This paper introduces two novel counterfactual explanation methods for TGNNs: GreeDy (Greedy Explainer for Dynamic Graphs) and CoDy (Counterfactual Explainer for Dynamic Graphs). They treat explanations as a search problem, seeking input graph alterations that alter model predictions. GreeDy uses a simple, greedy approach, while CoDy employs a sophisticated Monte Carlo Tree Search algorithm. Experiments show both methods effectively generate clear explanations. Notably, CoDy outperforms GreeDy and existing factual methods, with up to 59\% higher success rate in finding significant counterfactual inputs. This highlights CoDy's potential in clarifying TGNN decision-making, increasing their transparency and trustworthiness in practice.

Embedded Named Entity Recognition using Probing Classifiers

Extracting semantic information from generated text is a useful tool for applications such as automated fact checking or retrieval augmented generation. Currently, this requires either separate models during inference, which increases computational cost, or destructive fine-tuning of the language model. Instead, we propose directly embedding information extraction capabilities into pre-trained language models using probing classifiers, enabling efficient simultaneous text generation and information extraction. For this, we introduce an approach called EMBER and show that it enables named entity recognition in decoder-only language models without fine-tuning them and while incurring minimal additional computational cost at inference time. Specifically, our experiments using GPT-2 show that EMBER maintains high token generation rates during streaming text generation, with only a negligible decrease in speed of around 1% compared to a 43.64% slowdown measured for a baseline using a separate NER model. Code and data are available at https://github.com/nicpopovic/EMBER.