Parameterized Quantum Circuits (PQCs) have been acknowledged as a leading strategy to utilize near-term quantum advantages in multiple problems, including machine learning and combinatorial optimization. When applied to specific tasks, the parameters in the quantum circuits are trained to minimize the target function. Although there have been comprehensive studies to improve the performance of the PQCs on practical tasks, the errors caused by the quantum noise downgrade the performance when running on real quantum computers. In particular, when the quantum state is transformed through multiple quantum circuit layers, the effect of the quantum noise happens cumulatively and becomes closer to the maximally mixed state or complete noise. This paper studies the relationship between the quantum noise and the diffusion model. Then, we propose a novel diffusion-inspired learning approach to mitigate the quantum noise in the PQCs and reduce the error for specific tasks. Through our experiments, we illustrate the efficiency of the learning strategy and achieve state-of-the-art performance on classification tasks in the quantum noise scenarios.

Foundation models that can perform inference on any new task without requiring specific training have revolutionized machine learning in vision and language applications. However, applications involving graph-structured data remain a tough nut for foundation models, due to challenges in the unique feature- and label spaces associated with each graph. Traditional graph ML models such as graph neural networks (GNNs) trained on graphs cannot perform inference on a new graph with feature and label spaces different from the training ones. Furthermore, existing models learn functions specific to the training graph and cannot generalize to new graphs. In this work, we tackle these two challenges with a new foundational architecture for inductive node classification named GraphAny. GraphAny models inference on a new graph as an analytical solution to a LinearGNN, thereby solving the first challenge. To solve the second challenge, we learn attention scores for each node to fuse the predictions of multiple LinearGNNs. Specifically, the attention module is carefully parameterized as a function of the entropy-normalized distance-features between multiple LinearGNNs predictions to ensure generalization to new graphs. Empirically, GraphAny trained on the Wisconsin dataset with only 120 labeled nodes can effectively generalize to 30 new graphs with an average accuracy of 67.26\% in an inductive manner, surpassing GCN and GAT trained in the supervised regime, as well as other inductive baselines.

This study explores the formality style transfer in Persian, particularly relevant in the face of the increasing prevalence of informal language on digital platforms, which poses challenges for existing Natural Language Processing (NLP) tools. The aim is to transform informal text into formal while retaining the original meaning, addressing both lexical and syntactic differences. We introduce a novel model, Fa-BERT2BERT, based on the Fa-BERT architecture, incorporating consistency learning and gradient-based dynamic weighting. This approach improves the model's understanding of syntactic variations, balancing loss components effectively during training. Our evaluation of Fa-BERT2BERT against existing methods employs new metrics designed to accurately measure syntactic and stylistic changes. Results demonstrate our model's superior performance over traditional techniques across various metrics, including BLEU, BERT score, Rouge-l, and proposed metrics underscoring its ability to adeptly navigate the complexities of Persian language style transfer. This study significantly contributes to Persian language processing by enhancing the accuracy and functionality of NLP models and thereby supports the development of more efficient and reliable NLP applications, capable of handling language style transformation effectively, thereby streamlining content moderation, enhancing data mining results, and facilitating cross-cultural communication.

Multimodal large language models (MLLMs) have shown remarkable potential as human-like autonomous language agents to interact with real-world environments, especially for graphical user interface (GUI) automation. However, those GUI agents require comprehensive cognition ability including exhaustive perception and reliable action response. We propose a Comprehensive Cognitive LLM Agent, CoCo-Agent, with two novel approaches, comprehensive environment perception (CEP) and conditional action prediction (CAP), to systematically improve the GUI automation performance. First, CEP facilitates the GUI perception through different aspects and granularity, including screenshots and complementary detailed layouts for the visual channel and historical actions for the textual channel. Second, CAP decomposes the action prediction into sub-problems: action type prediction and action target conditioned on the action type. With our technical design, our agent achieves new state-of-the-art performance on AITW and META-GUI benchmarks, showing promising abilities in realistic scenarios. Code is available at https://github.com/xbmxb/CoCo-Agent.

Various machine learning approaches have gained significant popularity for the automated classification of educational text to identify indicators of learning engagement -- i.e. learning engagement classification (LEC). LEC can offer comprehensive insights into human learning processes, attracting significant interest from diverse research communities, including Natural Language Processing (NLP), Learning Analytics, and Educational Data Mining. Recently, Large Language Models (LLMs), such as ChatGPT, have demonstrated remarkable performance in various NLP tasks. However, their comprehensive evaluation and improvement approaches in LEC tasks have not been thoroughly investigated. In this study, we propose the Annotation Guidelines-based Knowledge Augmentation (AGKA) approach to improve LLMs. AGKA employs GPT 4.0 to retrieve label definition knowledge from annotation guidelines, and then applies the random under-sampler to select a few typical examples. Subsequently, we conduct a systematic evaluation benchmark of LEC, which includes six LEC datasets covering behavior classification (question and urgency level), emotion classification (binary and epistemic emotion), and cognition classification (opinion and cognitive presence). The study results demonstrate that AGKA can enhance non-fine-tuned LLMs, particularly GPT 4.0 and Llama 3 70B. GPT 4.0 with AGKA few-shot outperforms full-shot fine-tuned models such as BERT and RoBERTa on simple binary classification datasets. However, GPT 4.0 lags in multi-class tasks that require a deep understanding of complex semantic information. Notably, Llama 3 70B with AGKA is a promising combination based on open-source LLM, because its performance is on par with closed-source GPT 4.0 with AGKA. In addition, LLMs struggle to distinguish between labels with similar names in multi-class classification.

This paper presents an ontology of portions of matter with practical implications across scientific and industrial domains. The ontology is developed under the Unified Foundational Ontology (UFO), which uses the concept of quantity to represent topologically maximally self-connected portions of matter. The proposed ontology introduces the granuleOf parthood relation, holding between objects and portions of matter. It also discusses the constitution of quantities by collections of granules, the representation of sub-portions of matter, and the tracking of matter provenance between quantities using historical relations. Lastly, a case study is presented to demonstrate the use of the portion of matter ontology in the geology domain for an Oil & Gas industry application. In the case study, we model how to represent the historical relation between an original portion of rock and the sub-portions created during the industrial process. Lastly, future research directions are outlined, including investigating granularity levels and defining a taxonomy of events.

Data derived from the realm of the social sciences is often produced in digital text form, which motivates its use as a source for natural language processing methods. Researchers and practitioners have developed and relied on artificial intelligence techniques to collect, process, and analyze documents in the legal field, especially for tasks such as text summarization and classification. While increasing procedural efficiency is often the primary motivation behind natural language processing in the field, several works have proposed solutions for human rights-related issues, such as assessment of public policy and institutional social settings. One such issue is the presence of gender biases in court decisions, which has been largely studied in social sciences fields; biased institutional responses to gender-based violence are a violation of international human rights dispositions since they prevent gender minorities from accessing rights and hamper their dignity. Natural language processing-based approaches can help detect these biases on a larger scale. Still, the development and use of such tools require researchers and practitioners to be mindful of legal and ethical aspects concerning data sharing and use, reproducibility, domain expertise, and value-charged choices. In this work, we (a) present an experimental framework developed to automatically detect gender biases in court decisions issued in Brazilian Portuguese and (b) describe and elaborate on features we identify to be critical in such a technology, given its proposed use as a support tool for research and assessment of court~activity.

Large-scale multi-modal deep learning models have revolutionized domains such as healthcare, highlighting the importance of computational power. However, in resource-constrained regions like Low and Middle-Income Countries (LMICs), limited access to GPUs and data poses significant challenges, often leaving CPUs as the sole resource. To address this, we advocate for leveraging vector embeddings to enable flexible and efficient computational methodologies, democratizing multimodal deep learning across diverse contexts. Our paper investigates the efficiency and effectiveness of using vector embeddings from single-modal foundation models and multi-modal Vision-Language Models (VLMs) for multimodal deep learning in low-resource environments, particularly in healthcare. Additionally, we propose a simple yet effective inference-time method to enhance performance by aligning image-text embeddings. Comparing these approaches with traditional methods, we assess their impact on computational efficiency and model performance using metrics like accuracy, F1-score, inference time, training time, and memory usage across three medical modalities: BRSET (ophthalmology), HAM10000 (dermatology), and SatelliteBench (public health). Our findings show that embeddings reduce computational demands without compromising model performance. Furthermore, our alignment method improves performance in medical tasks. This research promotes sustainable AI practices by optimizing resources in constrained environments, highlighting the potential of embedding-based approaches for efficient multimodal learning. Vector embeddings democratize multimodal deep learning in LMICs, particularly in healthcare, enhancing AI adaptability in varied use cases.

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.

Compound AI systems (CASs) that employ LLMs as agents to accomplish knowledge-intensive tasks via interactions with tools and data retrievers have garnered significant interest within database and AI communities. While these systems have the potential to supplement typical analysis workflows of data analysts in enterprise data platforms, unfortunately, CASs are subject to the same data discovery challenges that analysts have encountered over the years -- silos of multimodal data sources, created across teams and departments within an organization, make it difficult to identify appropriate data sources for accomplishing the task at hand. Existing data discovery benchmarks do not model such multimodality and multiplicity of data sources. Moreover, benchmarks of CASs prioritize only evaluating end-to-end task performance. To catalyze research on evaluating the data discovery performance of multimodal data retrievers in CASs within a real-world setting, we propose CMDBench, a benchmark modeling the complexity of enterprise data platforms. We adapt existing datasets and benchmarks in open-domain -- from question answering and complex reasoning tasks to natural language querying over structured data -- to evaluate coarse- and fine-grained data discovery and task execution performance. Our experiments reveal the impact of data retriever design on downstream task performance -- a 46% drop in task accuracy on average -- across various modalities, data sources, and task difficulty. The results indicate the need to develop optimization strategies to identify appropriate LLM agents and retrievers for efficient execution of CASs over enterprise data.