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Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By evaluating various contextual embedding methods and pre-trained models, including Bidirectional Encoder Representations from Transformers (BERT) and Generative Pre-trained Transformers (GPT), we demonstrate that domain-specific models, particularly MatBERT significantly outperform general-purpose models in extracting implicit knowledge from compound names and material properties. Our findings reveal that information-dense embeddings from the third layer of MatBERT, combined with a context-averaging approach, offer the most effective method for capturing material-property relationships from the scientific literature. We also identify a crucial "tokenizer effect," highlighting the importance of specialized text processing techniques that preserve complete compound names while maintaining consistent token counts. These insights underscore the value of domain-specific training and tokenization in materials science applications and offer a promising pathway for accelerating the discovery and development of new materials through AI-driven approaches.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · MoDELS · 相似度 · 平滑 · ·
2024 年 12 月 12 日

We introduce the Coarse Payoff-Assessment Learning (CPAL) model, which captures reinforcement learning by boundedly rational decision-makers who focus on the aggregate outcomes of choosing among exogenously defined clusters of alternatives (similarity classes), rather than evaluating each alternative individually. Analyzing a smooth approximation of the model, we show that the learning dynamics exhibit steady-states corresponding to smooth Valuation Equilibria (Jehiel and Samet, 2007). We demonstrate the existence of multiple equilibria in decision trees with generic payoffs and establish the local asymptotic stability of pure equilibria when they occur. Conversely, when trivial choices featuring alternatives within the same similarity class yield sufficiently high payoffs, a unique mixed equilibrium emerges, characterized by indifferences between similarity classes, even under acute sensitivity to payoff differences. Finally, we prove that this unique mixed equilibrium is globally asymptotically stable under the CPAL dynamics.

Assessing the effectiveness of large language models (LLMs) in performing different tasks is crucial for understanding their strengths and weaknesses. This paper presents Hierarchical Prompting Taxonomy (HPT), grounded on human cognitive principles and designed to assess LLMs by examining the cognitive demands of various tasks. The HPT utilizes the Hierarchical Prompting Framework (HPF), which structures five unique prompting strategies in a hierarchical order based on their cognitive requirement on LLMs when compared to human mental capabilities. It assesses the complexity of tasks with the Hierarchical Prompting Index (HPI), which demonstrates the cognitive competencies of LLMs across diverse datasets and offers insights into the cognitive demands that datasets place on different LLMs. This approach enables a comprehensive evaluation of an LLMs problem solving abilities and the intricacy of a dataset, offering a standardized metric for task complexity. Extensive experiments with multiple datasets and LLMs show that HPF enhances LLM performance by 2% to 63% compared to baseline performance, with GSM8k being the most cognitively complex task among reasoning and coding tasks with an average HPI of 3.20 confirming the effectiveness of HPT. To support future research and reproducibility in this domain, the implementations of HPT and HPF are available here.

Despite the efficiency of prompt learning in transferring vision-language models (VLMs) to downstream tasks, existing methods mainly learn the prompts in a coarse-grained manner where the learned prompt vectors are shared across all categories. Consequently, the tailored prompts often fail to discern class-specific visual concepts, thereby hindering the transferred performance for classes that share similar or complex visual attributes. Recent advances mitigate this challenge by leveraging external knowledge from Large Language Models (LLMs) to furnish class descriptions, yet incurring notable inference costs. In this paper, we introduce TextRefiner, a plug-and-play method to refine the text prompts of existing methods by leveraging the internal knowledge of VLMs. Particularly, TextRefiner builds a novel local cache module to encapsulate fine-grained visual concepts derivedfrom local tokens within the image branch. By aggregating and aligning the cached visual descriptions with the original output of the text branch, TextRefiner can efficiently refine and enrich the learned prompts from existing methods without relying on any external expertise. For example, it improves the performance of CoOp from 71.66 % to 76.94 % on 11 benchmarks, surpassing CoCoOp which introduces instance-wise features for text prompts. Equipped with TextRefiner, PromptKD achieves state-of-the-art performance and is efficient in inference. Our code is relesed at //github.com/xjjxmu/TextRefiner

In the post-deep learning era, the Transformer architecture has demonstrated its powerful performance across pre-trained big models and various downstream tasks. However, the enormous computational demands of this architecture have deterred many researchers. To further reduce the complexity of attention models, numerous efforts have been made to design more efficient methods. Among them, the State Space Model (SSM), as a possible replacement for the self-attention based Transformer model, has drawn more and more attention in recent years. In this paper, we give the first comprehensive review of these works and also provide experimental comparisons and analysis to better demonstrate the features and advantages of SSM. Specifically, we first give a detailed description of principles to help the readers quickly capture the key ideas of SSM. After that, we dive into the reviews of existing SSMs and their various applications, including natural language processing, computer vision, graph, multi-modal and multi-media, point cloud/event stream, time series data, and other domains. In addition, we give statistical comparisons and analysis of these models and hope it helps the readers to understand the effectiveness of different structures on various tasks. Then, we propose possible research points in this direction to better promote the development of the theoretical model and application of SSM. More related works will be continuously updated on the following GitHub: //github.com/Event-AHU/Mamba_State_Space_Model_Paper_List.

Influenced by the stunning success of deep learning in computer vision and language understanding, research in recommendation has shifted to inventing new recommender models based on neural networks. In recent years, we have witnessed significant progress in developing neural recommender models, which generalize and surpass traditional recommender models owing to the strong representation power of neural networks. In this survey paper, we conduct a systematic review on neural recommender models, aiming to summarize the field to facilitate future progress. Distinct from existing surveys that categorize existing methods based on the taxonomy of deep learning techniques, we instead summarize the field from the perspective of recommendation modeling, which could be more instructive to researchers and practitioners working on recommender systems. Specifically, we divide the work into three types based on the data they used for recommendation modeling: 1) collaborative filtering models, which leverage the key source of user-item interaction data; 2) content enriched models, which additionally utilize the side information associated with users and items, like user profile and item knowledge graph; and 3) context enriched models, which account for the contextual information associated with an interaction, such as time, location, and the past interactions. After reviewing representative works for each type, we finally discuss some promising directions in this field, including benchmarking recommender systems, graph reasoning based recommendation models, and explainable and fair recommendations for social good.

Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{//github.com/IBM/EvolveGCN}.

Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.

This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.

We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.

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