The generation of synthetic financial data is a critical technology in the financial domain, addressing challenges posed by limited data availability. Traditionally, statistical models have been employed to generate synthetic data. However, these models fail to capture the stylized facts commonly observed in financial data, limiting their practical applicability. Recently, machine learning models have been introduced to address the limitations of statistical models; however, controlling synthetic data generation remains challenging. We propose CoFinDiff (Controllable Financial Diffusion model), a synthetic financial data generation model based on conditional diffusion models that accept conditions about the synthetic time series. By incorporating conditions derived from price data into the conditional diffusion model via cross-attention, CoFinDiff learns the relationships between the conditions and the data, generating synthetic data that align with arbitrary conditions. Experimental results demonstrate that: (i) synthetic data generated by CoFinDiff capture stylized facts; (ii) the generated data accurately meet specified conditions for trends and volatility; (iii) the diversity of the generated data surpasses that of the baseline models; and (iv) models trained on CoFinDiff-generated data achieve improved performance in deep hedging task.
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Artificial intelligence is rapidly encroaching on the field of service regulation. However, existing AI-based regulation techniques are often tailored to specific application domains and thus are difficult to generalize in an automated manner. This paper presents Horae, a unified specification language for modeling (multimodal) regulation rules across a diverse set of domains. We showcase how Horae facilitates an intelligent service regulation pipeline by further exploiting a fine-tuned large language model named RuleGPT that automates the Horae modeling process, thereby yielding an end-to-end framework for fully automated intelligent service regulation. The feasibility and effectiveness of our framework are demonstrated over a benchmark of various real-world regulation domains. In particular, we show that our open-sourced, fine-tuned RuleGPT with 7B parameters suffices to outperform GPT-3.5 and perform on par with GPT-4o.
COLUR: Confidence-Oriented Learning, Unlearning and Relearning with Noisy-Label Data for Model Restoration and Refinement
PDF ↗Large deep learning models have achieved significant success in various tasks. However, the performance of a model can significantly degrade if it is needed to train on datasets with noisy labels with misleading or ambiguous information. To date, there are limited investigations on how to restore performance when model degradation has been incurred by noisy label data. Inspired by the "forgetting mechanism" in neuroscience, which enables accelerating the relearning of correct knowledge by unlearning the wrong knowledge, we propose a robust model restoration and refinement (MRR) framework COLUR, namely Confidence-Oriented Learning, Unlearning and Relearning. Specifically, we implement COLUR with an efficient co-training architecture to unlearn the influence of label noise, and then refine model confidence on each label for relearning. Extensive experiments are conducted on four real datasets and all evaluation results show that COLUR consistently outperforms other SOTA methods after MRR.
NSF-MAP: Neurosymbolic Multimodal Fusion for Robust and Interpretable Anomaly Prediction in Assembly Pipelines
PDF ↗In modern assembly pipelines, identifying anomalies is crucial in ensuring product quality and operational efficiency. Conventional single-modality methods fail to capture the intricate relationships required for precise anomaly prediction in complex predictive environments with abundant data and multiple modalities. This paper proposes a neurosymbolic AI and fusion-based approach for multimodal anomaly prediction in assembly pipelines. We introduce a time series and image-based fusion model that leverages decision-level fusion techniques. Our research builds upon three primary novel approaches in multimodal learning: time series and image-based decision-level fusion modeling, transfer learning for fusion, and knowledge-infused learning. We evaluate the novel method using our derived and publicly available multimodal dataset and conduct comprehensive ablation studies to assess the impact of our preprocessing techniques and fusion model compared to traditional baselines. The results demonstrate that a neurosymbolic AI-based fusion approach that uses transfer learning can effectively harness the complementary strengths of time series and image data, offering a robust and interpretable approach for anomaly prediction in assembly pipelines with enhanced performance. \noindent The datasets, codes to reproduce the results, supplementary materials, and demo are available at https://github.com/ChathurangiShyalika/NSF-MAP.
Visualizing restoration treatments is a crucial task in dentistry. Traditionally, dentists drag the standard template tooth line onto the inner image from the front view to simulate the outcome of the restoration. This process lacks the precision needed for patient presentation. We find that calculating the camera pose and the relative positions of the upper and lower jaws can enhance visualization accuracy and efficiency while assisting dentists in treatment design. In this work, we leverage the optical flow model and a customized point renderer to help dentists show the treatment outcome to the patient. Specifically, we take the 3D scan model and the intraoral image pair as input. Our framework automatically outputs the camera pose and the relative position of the upper and lower jaws. With these parameters, dentists can directly design the restoration treatment on the 3D scan model without caring about the 2D visualization. Then the designed tooth line and other simulation modalities can be rendered on the intraoral image with our customized renderer. Our framework relieves the labor of dentists and shows the case precisely.
MolHFCNet: Enhancing Molecular Graph Representations with Hierarchical Feature Combining and Hybrid Pretraining
PDF ↗Efficient molecular property prediction is crucial in bioinformatics and cheminformatics, with applications in drug discovery, materials science, and chemical engineering. This paper introduces MolHFCNet, a graph neural network designed to enhance molecular representation learning. At its core, the n-Hierarchical Features Combining (n-HFC) module aggregates information across multiple hierarchical feature spaces, effectively capturing both local and global graph structures. Unlike conventional models, n-HFC maintains computational complexity comparable to a single full-dimensional graph layer while supporting either 2D or 3D molecular graphs, ensuring flexibility across tasks. Furthermore, we propose a novel graph pretraining strategy that integrates predictive and contrastive learning, enabling the model to capture local chemical interactions and global molecular contexts for robust embeddings. Experimental results on benchmark datasets demonstrate MolHFCNet’s superior accuracy and efficiency compared to state-of-the-art methods, highlighting the potential of high-order hierarchical feature learning for advancing molecular graph analysis. Our code is available at https://github.com/ndlongvn/MolHFCNet.
Large Language Models (LLMs) and Retrieval Augmented Generation (RAG) are reshaping how AI systems extract and organize information from unstructured text. A key challenge is designing AI methods that can incrementally extract, structure, and validate information while preserving hierarchical and contextual relationships. We introduce CDMizer, a template driven, LLM, and RAG-based framework for structured text transformation. By leveraging depth-based retrieval and hierarchical generation, CDMizer ensures a controlled, modular process that aligns generated outputs with predefined schemas. Its template-driven approach guarantees syntactic correctness, schema adherence, and improved scalability, addressing key limitations of direct generation methods. Additionally, we propose an LLM-powered evaluation framework to assess the completeness and accuracy of structured representations. Demonstrated in the transformation of Over-the-Counter (OTC) financial derivative contracts into the Common Domain Model (CDM), CDMizer establishes a scalable foundation for AI-driven document understanding, structured synthesis, and automated validation in broader contexts.
Logic synthesis is a crucial phase in the circuit design process, responsible for transforming hardware description language (HDL) designs into optimized netlists. However, traditional logic synthesis methods are computationally intensive, restricting their iterative use in refining chip designs. Recent advancements in large language models (LLMs), particularly those fine-tuned on programming languages, present a promising alternative. This work proposes augmenting LLMs with predictor networks trained to estimate circuit quality directly from HDL code. To enhance performance, the model is regularized using embeddings from graph neural networks (GNNs) trained on Look-Up Table (LUT) graphs, thereby incorporating lower-level circuit insights. The proposed method demonstrates superior performance compared to existing graph-based RTL-level estimation techniques on the established benchmark OpenABCD, while providing instant feedback on HDL code quality.
Current Digital Twin (DT) technology lacks the cognitive capabilities needed for true autonomy and intelligent adaptation. This paper introduces CogTwin, a hybrid cognitive architecture framework for developing Cognitive Digital Twins (CDTs). CogTwin integrates a 50ms cognitive cycle inspired by human cognition, dual knowledge graphs (static Domain Knowledge Repository (DKR) and dynamic Internal Knowledge Graph (DIKG)), a hybrid attention mechanism, and self-healing capabilities. Combining symbolic, sub-symbolic, and neuro-symbolic AI, CogTwin enables real-time learning and decision-making. Simulated smart city scenarios, including traffic incident management and power outage response, demonstrate CogTwin’s potential. Preliminary performance evaluations of the pseudocode suggest feasibility of the target 50ms cycle. The architecture also incorporates explainable AI (XAI) for transparency and human-CogTwin collaboration. CogTwin contributes towards a unified theory of cognition for DTs, laying the groundwork for more sophisticated and autonomous CDTs.
CycSeq: Leveraging Cyclic Data Generation for Accurate Perturbation Prediction in Single-Cell RNA-Seq
PDF ↗Understanding and predicting the effects of cellular perturbations using single-cell sequencing technology remains a critical and challenging problem in biotechnology. In this work, we introduce CycSeq, a deep learning framework that leverages cyclic data generation and recent advances in neural architectures to predict single-cell responses under specified perturbations across multiple cell lines, while also generating the corresponding single-cell expression profiles. Specifically, CycSeq addresses the challenge of learning heterogeneous perturbation responses from unpaired single-cell gene expression data by generating pseudo-pairs through cyclic data generation. Experimental results demonstrate that CycSeq outperforms existing methods in perturbation prediction tasks, as evaluated using computational metrics such as R-squared and MAE. Furthermore, CycSeq employs a unified architecture that integrates information from multiple cell lines, enabling robust predictions even for long-tail cell lines with limited training data. The source code is publicly available at https://github.com/yczju/cycseq.
Learning causal relationships in directed acyclic graphs (DAGs) from multi-type event sequences is a challenging task, especially in large-scale telecommunication networks. Existing methods struggle with the exponentially growing search space and lack global exploration. Gradient-based approaches are limited by their reliance on local information and often fail to generalize. To address these issues, we propose TCCD, a framework that combines Monte Carlo Tree Search (MCTS) with continuous gradient optimization. TCCD balances global exploration and local optimization, overcoming the shortcomings of purely gradient-based methods and enhancing generalization. By unifying various causal structure learning approaches, TCCD offers a scalable and efficient solution for causal inference in complex networks. Extensive experiments validate its superior performance on both synthetic and real-world datasets. Code and Appendix are available at https://github.com/jzephyrl/TCCD.
E-bikes (EBs) are a key transportation mode in urban area, especially for couriers of delivery platforms, but underdeveloped EB systems can hinder courier's productivity due to limited battery capacity. Battery-swapping stations address this issue by enabling riders to exchange depleted batteries for fully charged ones. However, managing supply and demand (SnD) imbalances at these stations has become increasingly complex. To address this, we introduce a new approach that formulates the Battery-Swapping Problem (BSP) as a discrete-time Markov Decision Process (MDP) to capture the dynamics of SnD imbalances. Building on it, we propose a Wasserstein-enhanced Proximal Policy Optimization (W-PPO) algorithm, which integrates Wasserstein distance with reinforcement learning to improve the robustness against uncertainty in forecasting SnD. W-PPO provides a BSP-specific, accurate loss function that reflects reward variations between two policies under real-world simulation. The algorithm’s effectiveness is assessed using key metrics: Shared Battery Utilization Ratio (SBUR) and Battery Supply Ratio (BSR). Simulations on real-world datasets show that W-PPO achieves a 30.59% improvement in SBUR and a 16.09% increase in BSR ensures practical applicability. By optimizing battery utilization and improving EB delivery systems, this work highlights the potential of AI for creating efficient and sustainable urban transportation solutions.
Empowering Quantum Serverless Circuit Deployment Optimization via Graph Contrastive Learning and Learning-to-Rank Co-designed Approaches
PDF ↗With the rapid advancements in quantum computing, cloud-based quantum services have gained increasing prominence. However, due to quantum noise, optimizing the deployment of quantum circuits remains an NP-hard problem with an expansive search space. Existing methods usually use heuristic algorithms to approximate the solution, such as the representative IBM Qiskit. On the one hand, they often find suboptimal deployment solutions. On the other hand, prior technologies do not consider user-specific requirements and can only provide a single deployment strategy. In this paper, we propose QCDeploy that can provide a ranked list of effective deployment strategies to optimize quantum serverless circuit deployment. Specifically, we model quantum circuits as Directed Acyclic Graph (DAG) representations and utilize graph contrastive learning for vector embedding. Then, a tailored list-aware learning-to-rank architecture is employed to generate a list of candidate strategies (prioritizing better strategies). We conduct extensive evaluations involving 45 prevalent quantum algorithm circuits across 3~5 qubits, utilizing 3 IBM quantum physical devices with three types of chip topologies. The results demonstrate that our proposed framework significantly outperforms IBMQ's default deployment scheme, e.g., achieving 17.95% overhead reduction and increasing the execution success rate by 20%~40%.
ImputeINR: Time Series Imputation via Implicit Neural Representations for Disease Diagnosis with Missing Data
PDF ↗Healthcare data frequently contain a substantial proportion of missing values, necessitating effective time series imputation to support downstream disease diagnosis tasks. However, existing imputation methods focus on discrete data points and are unable to effectively model sparse data, resulting in particularly poor performance for imputing substantial missing values. In this paper, we propose a novel approach, ImputeINR, for time series imputation by employing implicit neural representations (INR) to learn continuous functions for time series. ImputeINR leverages the merits of INR in that the continuous functions are not coupled to sampling frequency and have infinite sampling frequency, allowing ImputeINR to generate fine-grained imputations even on extremely sparse observed values. Extensive experiments conducted on eight datasets with five ratios of masked values show the superior imputation performance of ImputeINR, especially for high missing ratios in time series data. We also validate that applying ImputeINR to impute missing values in healthcare data enhances the performance of downstream disease diagnosis tasks.
The outbreak of pandemic has a huge impact on production and consumption in the business world, especially for the retail sector. As a crucial component of decision-support technology in the retail industry, sales forecasting is significant for production planning and optimizing the supply of essential goods during the pandemic. However, due to the irregular fluctuation pattern caused by uncertainty and the complex temporal correlation between multiple covariates and sales, there is still no effective approach for sales forecasting in this extreme event. To fill this gap, we propose a Pandemic-Compatible Attentive Network (PCAN) for retail sales forecasting. Specifically, to capture the irregular fluctuation patterns from the sales series, we design a fluctuation attention mechanism based on association discrepancy in the time series. Then, a parallel attention module is developed to learn the complex relationship between target sales and various dynamic influence factors in a decoupled manner. Finally, we introduce a novel rectification decoding strategy to indicate fluctuation points in prediction. By evaluating PCAN on four real-world retail food datasets from the SF Express international supply chain system, the results show that our method achieves superior performance over the existing state-of-the-art baselines. The model has been deployed in the supply chain system as a fundamental component to serve a world-leading food retailer.
DeepFeatIoT: Unifying Deep Learned, Randomized, and LLM Features for Enhanced IoT Time Series Sensor Data Classification in Smart Industries
PDF ↗Internet of Things (IoT) sensors are ubiquitous technologies deployed across smart cities, industrial sites, and healthcare systems. They continuously generate time series data that enable advanced analytics and automation in industries. However, challenges such as the loss or ambiguity of sensor metadata, heterogeneity in data sources, varying sampling frequencies, inconsistent units of measurement, and irregular timestamps make raw IoT time series data difficult to interpret, undermining the effectiveness of smart systems. To address these challenges, we propose a novel deep learning model, DeepFeatIoT, which integrates learned local and global features with non-learned randomized convolutional kernel-based features and features from large language models (LLMs). This straightforward yet unique fusion of diverse learned and non-learned features significantly enhances IoT time series sensor data classification, even in scenarios with limited labeled data. Our model's effectiveness is demonstrated through its consistent and generalized performance across multiple real-world IoT sensor datasets from diverse critical application domains, outperforming state-of-the-art benchmark models. These results highlight DeepFeatIoT's potential to drive significant advancements in IoT analytics and support the development of next-generation smart systems.
Optimize Battery Control: A Multi-Objective Evolutionary Ensemble Reinforcement Learning Approach
PDF ↗The Dynamically Reconfigurable Battery (DRB) systems, which use high-speed power electronic switches to dynamically adjust battery interconnections in real-time, are critical to the performance of the battery pack. Traditional battery management strategies often fail to address multi-objective optimization, leading to imbalanced performance and inadequate energy utilization. To enhance decision-making across multiple objectives, an Evolutionary Ensemble Reinforcement Learning (EERL) framework is proposed in this paper. This framework incorporates evolutionary algorithms to associate ensemble learning, thus improving reinforcement learning (RL) performance. It decomposes a complex objective into multiple sub-objectives, each optimized independently, while incorporating diverse performance metrics into the correlation stage to derive the Pareto optimal solution. The EERL can efficiently mitigate potential adverse effects such as short circuits, disconnections, and reverse charging, thereby effectively reducing capacity differences among various batteries. Simulations and real-world testing demonstrate that the proposed approach overcomes the issue of local optima entrapment in multi-objective optimization scenarios. In a real-world system, an 11.08 % increase in energy efficiency is observed compared to existing approaches.
The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that fail to equally integrate molecule and text modalities and lack explicit supervision signals for the molecular modality. To address these issues, we introduce UniMoT, a Unified Molecule-Text LLM adopting a tokenizer-based architecture that expands the vocabulary of LLMs with molecule tokens. Specifically, we introduce a Vector Quantization-driven tokenizer that incorporates a Q-Former to bridge the modality gap between molecule and text. This tokenizer transforms molecular structures into sequences of tokens exhibiting causal dependency, thereby encapsulating both high-level molecular features and textual information. Equipped with this tokenizer, UniMoT unifies molecule and text modalities under a shared token representation and an autoregressive training paradigm. This enables the model to process molecular structures as a distinct linguistic system and generate them in textual form. Through a four-stage training scheme, UniMoT functions as a multi-modal generalist capable of performing both molecule-to-text and text-to-molecule tasks. Extensive experiments demonstrate that UniMoT achieves state-of-the-art performance across a wide range of molecule comprehension and generation tasks.
Fine-tuning a pre-trained generative model has demonstrated good performance in generating promising drug molecules. The fine-tuning task is often formulated as a reinforcement learning problem, where previous methods efficiently learn to optimize a reward function to generate potential drug molecules. Nevertheless, in the absence of an adaptive update mechanism for the reward function, the optimization process can become stuck in local optima. The efficacy of the optimal molecule in a local optimization may not translate to usefulness in the subsequent drug optimization process or as a potential standalone clinical candidate. Therefore, it is important to generate a diverse set of promising molecules. Prior work has modified the reward function by penalizing structurally similar molecules, primarily focusing on finding molecules with higher rewards. To date, no study has comprehensively examined how different adaptive update mechanisms for the reward function influence the diversity of generated molecules. In this work, we investigate a wide range of intrinsic motivation methods and strategies to penalize the extrinsic reward, and how they affect the diversity of the set of generated molecules. Our experiments reveal that combining structure- and prediction-based methods generally yields better results in terms of diversity.
Foundation models have achieved tremendous success in different domains. However, their huge computation and storage complexity make these models difficult to fine-tune and also less applicable in practice. Recent study shows training in Fourier domain can be an effective fine-tuning method in terms of both model performance and number of training parameters. In this work, we propose to further reduce the complexity by the factorization through the product of interleaved circulant and diagonal matrices. In addition, we address the case of non-square fine-tuning weights by partitioning the circulant matrix into blocks. Our method avoids the construction of weight change matrix and utilizes 1D fast Fourier transform (FFT) instead of 2D FFT. Experimental results show that our method achieves similar or better performance across various tasks with much less floating-point operations (FLOPs) and the number of trainable parameters.