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Large language models (LLMs) typically improve performance by either retrieving semantically similar information, or enhancing reasoning abilities through structured prompts like chain-of-thought. While both strategies are considered crucial, it remains unclear which has a greater impact on model performance or whether a combination of both is necessary. This paper answers this question by proposing a knowledge graph (KG)-based random-walk reasoning approach that leverages causal relationships. We conduct experiments on the commonsense question answering task that is based on a KG. The KG inherently provides both relevant information, such as related entity keywords, and a reasoning structure through the connections between nodes. Experimental results show that the proposed KG-based random-walk reasoning method improves the reasoning ability and performance of LLMs. Interestingly, incorporating three seemingly irrelevant sentences into the query using KG-based random-walk reasoning enhances LLM performance, contrary to conventional wisdom. These findings suggest that integrating causal structures into prompts can significantly improve reasoning capabilities, providing new insights into the role of causality in optimizing LLM performance., Comment: Accepted at NeurIPS 2024 Workshop on Causality and Large Models (CaLM)

Achieving fairness across diverse clients in Federated Learning (FL) remains a significant challenge due to the heterogeneity of the data and the inaccessibility of sensitive attributes from clients' private datasets. This study addresses this issue by introducing \texttt{EquiFL}, a novel approach designed to enhance both local and global fairness in federated learning environments. \texttt{EquiFL} incorporates a fairness term into the local optimization objective, effectively balancing local performance and fairness. The proposed coordination mechanism also prevents bias from propagating across clients during the collaboration phase. Through extensive experiments across multiple benchmarks, we demonstrate that \texttt{EquiFL} not only strikes a better balance between accuracy and fairness locally at each client but also achieves global fairness. The results also indicate that \texttt{EquiFL} ensures uniform performance distribution among clients, thus contributing to performance fairness. Furthermore, we showcase the benefits of \texttt{EquiFL} in a real-world distributed dataset from a healthcare application, specifically in predicting the effects of treatments on patients across various hospital locations.

In the era of big data, access to abundant data is crucial for driving research forward. However, such data is often inaccessible due to privacy concerns or high costs, particularly in healthcare domain. Generating synthetic (tabular) data can address this, but existing models typically require substantial amounts of data to train effectively, contradicting our objective to solve data scarcity. To address this challenge, we propose a novel framework to generate synthetic tabular data, powered by large language models (LLMs) that emulates the architecture of a Generative Adversarial Network (GAN). By incorporating data generation process as contextual information and utilizing LLM as the optimizer, our approach significantly enhance the quality of synthetic data generation in common scenarios with small sample sizes. Our experimental results on public and private datasets demonstrate that our model outperforms several state-of-art models regarding generating higher quality synthetic data for downstream tasks while keeping privacy of the real data.

Recommender systems can be helpful for individuals to make well-informed decisions in complex financial markets. While many studies have focused on predicting stock prices, even advanced models fall short of accurately forecasting them. Additionally, previous studies indicate that individual investors often disregard established investment theories, favoring their personal preferences instead. This presents a challenge for stock recommendation systems, which must not only provide strong investment performance but also respect these individual preferences. To create effective stock recommender systems, three critical elements must be incorporated: 1) individual preferences, 2) portfolio diversification, and 3) the temporal dynamics of the first two. In response, we propose a new model, Portfolio Temporal Graph Network Recommender, PfoTGNRec, which can handle time-varying collaborative signals and incorporates diversification-enhancing sampling. On real-world individual trading data, our approach demonstrates superior performance compared to state-of-the-art baselines, including cutting-edge dynamic embedding models and existing stock recommendation models. Indeed, we show that PfoTGNRec is an effective solution that can balance customer preferences with the need to suggest portfolios with high Return-on-Investment. The source code and data are available at https://anonymous.4open.science/r/ICAIF2024-E23E.

This paper explores the utilization of Temporal Graph Networks (TGN) for financial anomaly detection, a pressing need in the era of fintech and digitized financial transactions. We present a comprehensive framework that leverages TGN, capable of capturing dynamic changes in edges within financial networks, for fraud detection. Our study compares TGN's performance against static Graph Neural Network (GNN) baselines, as well as cutting-edge hypergraph neural network baselines using DGraph dataset for a realistic financial context. Our results demonstrate that TGN significantly outperforms other models in terms of AUC metrics. This superior performance underlines TGN's potential as an effective tool for detecting financial fraud, showcasing its ability to adapt to the dynamic and complex nature of modern financial systems. We also experimented with various graph embedding modules within the TGN framework and compared the effectiveness of each module. In conclusion, we demonstrated that, even with variations within TGN, it is possible to achieve good performance in the anomaly detection task., Comment: Presented at the AAAI 2024 Workshop on AI in Finance for Social Impact (https://sites.google.com/view/aifin-aaai2024)

Recommender systems have been actively studied and applied in various domains to deal with information overload. Although there are numerous studies on recommender systems for movies, music, and e-commerce, comparatively less attention has been paid to the recommender system for NFTs despite the continuous growth of the NFT market. This paper presents a recommender system for NFTs that utilizes a variety of data sources, from NFT transaction records to external item features, to generate precise recommendations that cater to individual preferences. We develop a data-efficient graph-based recommender system to efficiently capture the complex relationship between each item and users and generate node(item) embeddings which incorporate both node feature information and graph structure. Furthermore, we exploit inputs beyond user-item interactions, such as image feature, text feature, and price feature. Numerical experiments verify the performance of the graph-based recommender system improves significantly after utilizing all types of item features as side information, thereby outperforming all other baselines., Comment: Presented at the AAAI 2023 Bridge on AI for Financial Services (https://sites.google.com/view/aaai-ai-fin/home)

Addressing the challenges related to data sparsity, cold-start problems, and diversity in recommendation systems is both crucial and demanding. Many current solutions leverage knowledge graphs to tackle these issues by combining both item-based and user-item collaborative signals. A common trend in these approaches focuses on improving ranking performance at the cost of escalating model complexity, reducing diversity, and complicating the task. It is essential to provide recommendations that are both personalized and diverse, rather than solely relying on achieving high rank-based performance, such as Click-through Rate, Recall, etc. In this paper, we propose a hybrid multi-task learning approach, training on user-item and item-item interactions. We apply item-based contrastive learning on descriptive text, sampling positive and negative pairs based on item metadata. Our approach allows the model to better understand the relationships between entities within the knowledge graph by utilizing semantic information from text. It leads to more accurate, relevant, and diverse user recommendations and a benefit that extends even to cold-start users who have few interactions with items. We perform extensive experiments on two widely used datasets to validate the effectiveness of our approach. Our findings demonstrate that jointly training user-item interactions and item-based signals using synopsis text is highly effective. Furthermore, our results provide evidence that item-based contrastive learning enhances the quality of entity embeddings, as indicated by metrics such as uniformity and alignment., Comment: Accepted at LREC-COLING 2024

Recommender systems, crucial for user engagement on platforms like e-commerce and streaming services, often lag behind users' evolving preferences due to static data reliance. After Temporal Graph Networks (TGNs) were proposed, various studies have shown that TGN can significantly improve situations where the features of nodes and edges dynamically change over time. However, despite its promising capabilities, it has not been directly applied in recommender systems to date. Our study bridges this gap by directly implementing Temporal Graph Networks (TGN) in recommender systems, a first in this field. Using real-world datasets and a range of graph and history embedding methods, we show TGN's adaptability, confirming its effectiveness in dynamic recommendation scenarios., Comment: Presented at the AAAI 2024 Workshop on Recommendation Ecosystems: Modeling, Optimization and Incentive Design

Improving the accessibility of psychotherapy with the aid of Large Language Models (LLMs) is garnering a significant attention in recent years. Recognizing cognitive distortions from the interviewee's utterances can be an essential part of psychotherapy, especially for cognitive behavioral therapy. In this paper, we propose ERD, which improves LLM-based cognitive distortion classification performance with the aid of additional modules of (1) extracting the parts related to cognitive distortion, and (2) debating the reasoning steps by multiple agents. Our experimental results on a public dataset show that ERD improves the multi-class F1 score as well as binary specificity score. Regarding the latter score, it turns out that our method is effective in debiasing the baseline method which has high false positive rate, especially when the summary of multi-agent debate is provided to LLMs.

Machine learning methods for estimating heterogeneous treatment effects (HTE) facilitate large-scale personalized decision-making across various domains such as healthcare, policy making, education, and more. Current machine learning approaches for HTE require access to substantial amounts of data per treatment, and the high costs associated with interventions makes centrally collecting so much data for each intervention a formidable challenge. To overcome this obstacle, in this work, we propose a novel framework for collaborative learning of HTE estimators across institutions via Federated Learning. We show that even under a diversity of interventions and subject populations across clients, one can jointly learn a common feature representation, while concurrently and privately learning the specific predictive functions for outcomes under distinct interventions across institutions. Our framework and the associated algorithm are based on this insight, and leverage tabular transformers to map multiple input data to feature representations which are then used for outcome prediction via multi-task learning. We also propose a novel way of federated training of personalised transformers that can work with heterogeneous input feature spaces. Experimental results on real-world clinical trial data demonstrate the effectiveness of our method.

In condensed matter physics, the Kagome lattice and its inherent flat bands have attracted considerable attention for their potential to host a variety of exotic physical phenomena. Despite extensive efforts to fabricate thin films of Kagome materials aimed at modulating the flat bands through electrostatic gating or strain manipulation, progress has been limited. Here, we report the observation of a novel $d$-orbital hybridized Kagome-derived flat band in Ag/Si(111) $\sqrt{3}\times\sqrt{3}$ as revealed by angle-resolved photoemission spectroscopy. Our findings indicate that silver atoms on a silicon substrate form a Kagome-like structure, where a delicate balance in the hopping parameters of the in-plane $d$-orbitals leads to destructive interference, resulting in a flat band. These results not only introduce a new platform for Kagome physics but also illuminate the potential for integrating metal-semiconductor interfaces into Kagome-related research, thereby opening a new avenue for exploring ideal two-dimensional Kagome systems., Comment: 7 pages, 4 figures

Recent advancements in robotics have enabled robots to navigate complex scenes or manipulate diverse objects independently. However, robots are still impotent in many household tasks requiring coordinated behaviors such as opening doors. The factorization of navigation and manipulation, while effective for some tasks, fails in scenarios requiring coordinated actions. To address this challenge, we introduce, HarmonicMM, an end-to-end learning method that optimizes both navigation and manipulation, showing notable improvement over existing techniques in everyday tasks. This approach is validated in simulated and real-world environments and adapts to novel unseen settings without additional tuning. Our contributions include a new benchmark for mobile manipulation and the successful deployment with only RGB visual observation in a real unseen apartment, demonstrating the potential for practical indoor robot deployment in daily life. More results are on our project site: https://rchalyang.github.io/HarmonicMM/, Comment: More results are on our project site: https://rchalyang.github.io/HarmonicMM/

Reinforcement learning (RL) with dense rewards and imitation learning (IL) with human-generated trajectories are the most widely used approaches for training modern embodied agents. RL requires extensive reward shaping and auxiliary losses and is often too slow and ineffective for long-horizon tasks. While IL with human supervision is effective, collecting human trajectories at scale is extremely expensive. In this work, we show that imitating shortest-path planners in simulation produces agents that, given a language instruction, can proficiently navigate, explore, and manipulate objects in both simulation and in the real world using only RGB sensors (no depth map or GPS coordinates). This surprising result is enabled by our end-to-end, transformer-based, SPOC architecture, powerful visual encoders paired with extensive image augmentation, and the dramatic scale and diversity of our training data: millions of frames of shortest-path-expert trajectories collected inside approximately 200,000 procedurally generated houses containing 40,000 unique 3D assets. Our models, data, training code, and newly proposed 10-task benchmarking suite CHORES are available in https://spoc-robot.github.io., Comment: First six authors contributed equally. Project page: https://spoc-robot.github.io/

We discover that many natural-language prompts can be replaced by corresponding prompts that are unintelligible to humans but that provably elicit similar behavior in language models. We call these prompts "evil twins" because they are obfuscated and uninterpretable (evil), but at the same time mimic the functionality of the original natural-language prompts (twins). Remarkably, evil twins transfer between models. We find these prompts by solving a maximum-likelihood problem which has applications of independent interest., Comment: EMNLP 2024 Main, camera-ready

Large, high-capacity models trained on diverse datasets have shown remarkable successes on efficiently tackling downstream applications. In domains from NLP to Computer Vision, this has led to a consolidation of pretrained models, with general pretrained backbones serving as a starting point for many applications. Can such a consolidation happen in robotics? Conventionally, robotic learning methods train a separate model for every application, every robot, and even every environment. Can we instead train generalist X-robot policy that can be adapted efficiently to new robots, tasks, and environments? In this paper, we provide datasets in standardized data formats and models to make it possible to explore this possibility in the context of robotic manipulation, alongside experimental results that provide an example of effective X-robot policies. We assemble a dataset from 22 different robots collected through a collaboration between 21 institutions, demonstrating 527 skills (160266 tasks). We show that a high-capacity model trained on this data, which we call RT-X, exhibits positive transfer and improves the capabilities of multiple robots by leveraging experience from other platforms. More details can be found on the project website https://robotics-transformer-x.github.io., Comment: Project website: https://robotics-transformer-x.github.io

Recommender systems have become essential tools for enhancing user experiences across various domains. While extensive research has been conducted on recommender systems for movies, music, and e-commerce, the rapidly growing and economically significant Non-Fungible Token (NFT) market remains underexplored. The unique characteristics and increasing prominence of the NFT market highlight the importance of developing tailored recommender systems to cater to its specific needs and unlock its full potential. In this paper, we examine the distinctive characteristics of NFTs and propose the first recommender system specifically designed to address NFT market challenges. In specific, we develop a Multi-Attention Recommender System for NFTs (NFT-MARS) with three key characteristics: (1) graph attention to handle sparse user-item interactions, (2) multi-modal attention to incorporate feature preference of users, and (3) multi-task learning to consider the dual nature of NFTs as both artwork and financial assets. We demonstrate the effectiveness of NFT-MARS compared to various baseline models using the actual transaction data of NFTs collected directly from blockchain for four of the most popular NFT collections. The source code and data are available at https://anonymous.4open.science/r/RecSys2023-93ED.

Large pre-trained language models (LLMs) have been shown to have significant potential in few-shot learning across various fields, even with minimal training data. However, their ability to generalize to unseen tasks in more complex fields, such as biology, has yet to be fully evaluated. LLMs can offer a promising alternative approach for biological inference, particularly in cases where structured data and sample size are limited, by extracting prior knowledge from text corpora. Our proposed few-shot learning approach uses LLMs to predict the synergy of drug pairs in rare tissues that lack structured data and features. Our experiments, which involved seven rare tissues from different cancer types, demonstrated that the LLM-based prediction model achieved significant accuracy with very few or zero samples. Our proposed model, the CancerGPT (with $\sim$ 124M parameters), was even comparable to the larger fine-tuned GPT-3 model (with $\sim$ 175B parameters). Our research is the first to tackle drug pair synergy prediction in rare tissues with limited data. We are also the first to utilize an LLM-based prediction model for biological reaction prediction tasks.

Recent pre-trained language models (PLMs) achieved great success on many natural language processing tasks through learning linguistic features and contextualized sentence representation. Since attributes captured in stacked layers of PLMs are not clearly identified, straightforward approaches such as embedding the last layer are commonly preferred to derive sentence representations from PLMs. This paper introduces the attention-based pooling strategy, which enables the model to preserve layer-wise signals captured in each layer and learn digested linguistic features for downstream tasks. The contrastive learning objective can adapt the layer-wise attention pooling to both unsupervised and supervised manners. It results in regularizing the anisotropic space of pre-trained embeddings and being more uniform. We evaluate our model on standard semantic textual similarity (STS) and semantic search tasks. As a result, our method improved the performance of the base contrastive learned BERT_base and variants., Comment: Accepted to COLING 2022

Causal structure learning refers to a process of identifying causal structures from observational data, and it can have multiple applications in biomedicine and health care. This paper provides a practical review and tutorial on scalable causal structure learning models with examples of real-world data to help health care audiences understand and apply them. We reviewed traditional (combinatorial and score-based methods) for causal structure discovery and machine learning-based schemes. We also highlighted recent developments in biomedicine where causal structure learning can be applied to discover structures such as gene networks, brain connectivity networks, and those in cancer epidemiology. We also compared the performance of traditional and machine learning-based algorithms for causal discovery over some benchmark data sets. Machine learning-based approaches, including deep learning, have many advantages over traditional approaches, such as scalability, including a greater number of variables, and potentially being applied in a wide range of biomedical applications, such as genetics, if sufficient data are available. Furthermore, these models are more flexible than traditional models and are poised to positively affect many applications in the future.

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the data. The real-world data is noisy, sparse, and has many confounding factors. In addition, many studies have shown that drugs effects are heterogeneous among the population. Lots of advanced machine learning models about estimating heterogeneous treatment effects (HTE) have emerged in recent years, and have been applied to in econometrics and machine learning communities. These studies acknowledge medicine and drug development as the main application area, but there has been limited translational research from the HTE methodology to drug development. We aim to introduce the HTE methodology to the healthcare area and provide feasibility consideration when translating the methodology with benchmark experiments on healthcare administrative claim data. Also, we want to use benchmark experiments to show how to interpret and evaluate the model when it is applied to healthcare research. By introducing the recent HTE techniques to a broad readership in biomedical informatics communities, we expect to promote the wide adoption of causal inference using machine learning. We also expect to provide the feasibility of HTE for personalized drug effectiveness., Comment: 52 pages, 8 figures

Evaluating the blood-brain barrier (BBB) permeability of drug molecules is a critical step in brain drug development. Traditional methods for the evaluation require complicated in vitro or in vivo testing. Alternatively, in silico predictions based on machine learning have proved to be a cost-efficient way to complement the in vitro and in vivo methods. However, the performance of the established models has been limited by their incapability of dealing with the interactions between drugs and proteins, which play an important role in the mechanism behind the BBB penetrating behaviors. To address this limitation, we employed the relational graph convolutional network (RGCN) to handle the drug-protein interactions as well as the properties of each individual drug. The RGCN model achieved an overall accuracy of 0.872, an AUROC of 0.919 and an AUPRC of 0.838 for the testing dataset with the drug-protein interactions and the Mordred descriptors as the input. Introducing drug-drug similarity to connect structurally similar drugs in the data graph further improved the testing results, giving an overall accuracy of 0.876, an AUROC of 0.926 and an AUPRC of 0.865. In particular, the RGCN model was found to greatly outperform the LightGBM base model when evaluated with the drugs whose BBB penetration was dependent on drug-protein interactions. Our model is expected to provide high-confidence predictions of BBB permeability for drug prioritization in the experimental screening of BBB-penetrating drugs.