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As opposed to evaluating computation and logic-based reasoning, current benchmarks for evaluating large language models (LLMs) in medicine are primarily focused on question-answering involving domain knowledge and descriptive reasoning. While such qualitative capabilities are vital to medical diagnosis, in real-world scenarios, doctors frequently use clinical calculators that follow quantitative equations and rule-based reasoning paradigms for evidence-based decision support. To this end, we propose MedCalc-Bench, a first-of-its-kind dataset focused on evaluating the medical calculation capability of LLMs. MedCalc-Bench contains an evaluation set of over 1000 manually reviewed instances from 55 different medical calculation tasks. Each instance in MedCalc-Bench consists of a patient note, a question requesting to compute a specific medical value, a ground truth answer, and a step-by-step explanation showing how the answer is obtained. While our evaluation results show the potential of LLMs in this area, none of them are effective enough for clinical settings. Common issues include extracting the incorrect entities, not using the correct equation or rules for a calculation task, or incorrectly performing the arithmetic for the computation. We hope our study highlights the quantitative knowledge and reasoning gaps in LLMs within medical settings, encouraging future improvements of LLMs for various clinical calculation tasks.

Diffusion models have demonstrated powerful data generation capabilities in various research fields such as image generation. However, in the field of vibration signal generation, the criteria for evaluating the quality of the generated signal are different from that of image generation and there is a fundamental difference between them. At present, there is no research on the ability of diffusion model to generate vibration signal. In this paper, a Time Series Diffusion Method (TSDM) is proposed for vibration signal generation, leveraging the foundational principles of diffusion models. The TSDM uses an improved U-net architecture with attention block, ResBlock and TimeEmbedding to effectively segment and extract features from one-dimensional time series data. It operates based on forward diffusion and reverse denoising processes for time-series generation. Experimental validation is conducted using single-frequency, multi-frequency datasets, and bearing fault datasets. The results show that TSDM can accurately generate the single-frequency and multi-frequency features in the time series and retain the basic frequency features for the diffusion generation results of the bearing fault series. It is also found that the original DDPM could not generate high quality vibration signals, but the improved U-net in TSDM, which applied the combination of attention block and ResBlock, could effectively improve the quality of vibration signal generation. Finally, TSDM is applied to the small sample fault diagnosis of three public bearing fault datasets, and the results show that the accuracy of small sample fault diagnosis of the three datasets is improved by 32.380%, 18.355% and 9.298% at most, respectively.

A hypergraph is a generalization of a graph that arises naturally when attribute-sharing among entities is considered. Compared to graphs, hypergraphs have the distinct advantage that they contain explicit communities and are more convenient to manipulate. An open problem in hypergraph research is how to accurately and efficiently calculate node distances on hypergraphs. Estimating node distances enables us to find a node's nearest neighbors, which has important applications in such areas as recommender system, targeted ads, etc. In this paper, we propose using expected hitting times of random walks to compute hypergraph node distances. We note that simple random walks (SRW) cannot accurately compute node distances on highly complex real-world hypergraphs, which motivates us to introduce frustrated random walks (FRW) for this task. We further benchmark our method against DeepWalk, and show that while the latter can achieve comparable results, FRW has a distinct computational advantage in cases where the number of targets is fairly small. For such cases, we show that FRW runs in significantly shorter time than DeepWalk. Finally, we analyze the time complexity of our method, and show that for large and sparse hypergraphs, the complexity is approximately linear, rendering it superior to the DeepWalk alternative.

Federated Learning (FL) is a distributed machine learning approach that enables training on decentralized data while preserving privacy. However, FL systems often involve resource-constrained client devices with limited computational power, memory, storage, and bandwidth. This paper introduces FedMap, a novel method that aims to enhance the communication efficiency of FL deployments by collaboratively learning an increasingly sparse global model through iterative, unstructured pruning. Importantly, FedMap trains a global model from scratch, unlike other methods reported in the literature, making it ideal for privacy-critical use cases such as in the medical and finance domains, where suitable pre-training data is often limited. FedMap adapts iterative magnitude-based pruning to the FL setting, ensuring all clients prune and refine the same subset of the global model parameters, therefore gradually reducing the global model size and communication overhead. The iterative nature of FedMap, forming subsequent models as subsets of predecessors, avoids parameter reactivation issues seen in prior work, resulting in stable performance. In this paper we provide an extensive evaluation of FedMap across diverse settings, datasets, model architectures, and hyperparameters, assessing performance in both IID and non-IID environments. Comparative analysis against the baseline approach demonstrates FedMap's ability to achieve more stable client model performance. For IID scenarios, FedMap achieves over $90$\% pruning without significant performance degradation. In non-IID settings, it achieves at least $~80$\% pruning while maintaining accuracy. FedMap offers a promising solution to alleviate communication bottlenecks in FL systems while retaining model accuracy.

Link prediction is a common task on graph-structured data that has seen applications in a variety of domains. Classically, hand-crafted heuristics were used for this task. Heuristic measures are chosen such that they correlate well with the underlying factors related to link formation. In recent years, a new class of methods has emerged that combines the advantages of message-passing neural networks (MPNN) and heuristics methods. These methods perform predictions by using the output of an MPNN in conjunction with a "pairwise encoding" that captures the relationship between nodes in the candidate link. They have been shown to achieve strong performance on numerous datasets. However, current pairwise encodings often contain a strong inductive bias, using the same underlying factors to classify all links. This limits the ability of existing methods to learn how to properly classify a variety of different links that may form from different factors. To address this limitation, we propose a new method, LPFormer, which attempts to adaptively learn the pairwise encodings for each link. LPFormer models the link factors via an attention module that learns the pairwise encoding that exists between nodes by modeling multiple factors integral to link prediction. Extensive experiments demonstrate that LPFormer can achieve SOTA performance on numerous datasets while maintaining efficiency. The code is available at The code is available at //github.com/HarryShomer/LPFormer.

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large Language Models (LLMs), with their strong pattern-matching capabilities via pretraining on vast amounts of data, stand out as a potential candidate for surrogate modeling. However, directly prompting a pretrained language model to produce predictions is not feasible in many scientific domains due to the scarcity of domain-specific data in the pretraining corpora and the challenges of articulating complex problems in natural language. In this work, we introduce LICO, a general-purpose model that extends arbitrary base LLMs for black-box optimization, with a particular application to the molecular domain. To achieve this, we equip the language model with a separate embedding layer and prediction layer, and train the model to perform in-context predictions on a diverse set of functions defined over the domain. Once trained, LICO can generalize to unseen molecule properties simply via in-context prompting. LICO achieves state-of-the-art performance on PMO, a challenging molecular optimization benchmark comprising over 20 objective functions.

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

As an effective strategy, data augmentation (DA) alleviates data scarcity scenarios where deep learning techniques may fail. It is widely applied in computer vision then introduced to natural language processing and achieves improvements in many tasks. One of the main focuses of the DA methods is to improve the diversity of training data, thereby helping the model to better generalize to unseen testing data. In this survey, we frame DA methods into three categories based on the diversity of augmented data, including paraphrasing, noising, and sampling. Our paper sets out to analyze DA methods in detail according to the above categories. Further, we also introduce their applications in NLP tasks as well as the challenges.

Visual dialogue is a challenging task that needs to extract implicit information from both visual (image) and textual (dialogue history) contexts. Classical approaches pay more attention to the integration of the current question, vision knowledge and text knowledge, despising the heterogeneous semantic gaps between the cross-modal information. In the meantime, the concatenation operation has become de-facto standard to the cross-modal information fusion, which has a limited ability in information retrieval. In this paper, we propose a novel Knowledge-Bridge Graph Network (KBGN) model by using graph to bridge the cross-modal semantic relations between vision and text knowledge in fine granularity, as well as retrieving required knowledge via an adaptive information selection mode. Moreover, the reasoning clues for visual dialogue can be clearly drawn from intra-modal entities and inter-modal bridges. Experimental results on VisDial v1.0 and VisDial-Q datasets demonstrate that our model outperforms exiting models with state-of-the-art results.

Salient object detection is a fundamental problem and has been received a great deal of attentions in computer vision. Recently deep learning model became a powerful tool for image feature extraction. In this paper, we propose a multi-scale deep neural network (MSDNN) for salient object detection. The proposed model first extracts global high-level features and context information over the whole source image with recurrent convolutional neural network (RCNN). Then several stacked deconvolutional layers are adopted to get the multi-scale feature representation and obtain a series of saliency maps. Finally, we investigate a fusion convolution module (FCM) to build a final pixel level saliency map. The proposed model is extensively evaluated on four salient object detection benchmark datasets. Results show that our deep model significantly outperforms other 12 state-of-the-art approaches.