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Contrastive Language-Structure Pre-training Driven by Materials Science Literature

arXiv.org Artificial Intelligence

Understanding structure-property relationships is an essential yet challenging aspect of materials discovery and development. To facilitate this process, recent studies in materials informatics have sought latent embedding spaces of crystal structures to capture their similarities based on properties and functionalities. However, abstract feature-based embedding spaces are human-unfriendly and prevent intuitive and efficient exploration of the vast materials space. Here we introduce Contrastive Language--Structure Pre-training (CLaSP), a learning paradigm for constructing crossmodal embedding spaces between crystal structures and texts. CLaSP aims to achieve material embeddings that 1) capture property- and functionality-related similarities between crystal structures and 2) allow intuitive retrieval of materials via user-provided description texts as queries. To compensate for the lack of sufficient datasets linking crystal structures with textual descriptions, CLaSP leverages a dataset of over 400,000 published crystal structures and corresponding publication records, including paper titles and abstracts, for training. We demonstrate the effectiveness of CLaSP through text-based crystal structure screening and embedding space visualization.


REX: Causal Discovery based on Machine Learning and Explainability techniques

arXiv.org Artificial Intelligence

Causal discovery --the process of identifying cause-and-effect relationships from observational data-- is a pivotal challenge in artificial intelligence (AI) and machine learning. Unveiling causal structures enables robust predictions, facilitates counterfactual reasoning, and enhances decision-making processes in complex systems [1]. Traditional methods for causal discovery often rely on statistical tests for independence and structural equation modeling, which may not scale efficiently with high-dimensional data or effectively capture intricate non-linear relationships [2, 3]. In recent years, machine learning models, particularly deep learning architectures, have achieved remarkable success in predictive tasks. However, these models are typically considered "black boxes" due to their lack of interpretability. This opacity has led to a growing interest in explainable AI (XAI) techniques, with Shapley values emerging as a prominent method for interpreting model predictions [4]. Shapley values, grounded in cooperative game theory, provide a principled approach to attributing the contribution of each feature to the output of a model by quantifying the average marginal contribution of a feature across all possible subsets of features [5]. While Shapley values offer valuable insights into feature importance within a model's predictive framework, the link between feature importance and causal influence is non-trivial.


Forecasting of Bitcoin Prices Using Hashrate Features: Wavelet and Deep Stacking Approach

arXiv.org Artificial Intelligence

Digital currencies have become popular in the last decade due to their non-dependency and decentralized nature. The price of these currencies has seen a lot of fluctuations at times, which has increased the need for prediction. As their most popular, Bitcoin(BTC) has become a research hotspot. The main challenge and trend of digital currencies, especially BTC, is price fluctuations, which require studying the basic price prediction model. This research presents a classification and regression model based on stack deep learning that uses a wavelet to remove noise to predict movements and prices of BTC at different time intervals. The proposed model based on the stacking technique uses models based on deep learning, especially neural networks and transformers, for one, seven, thirty and ninety-day forecasting. Three feature selection models, Chi2, RFE and Embedded, were also applied to the data in the pre-processing stage. The classification model achieved 63\% accuracy for predicting the next day and 64\%, 67\% and 82\% for predicting the seventh, thirty and ninety days, respectively. For daily price forecasting, the percentage error was reduced to 0.58, while the error ranged from 2.72\% to 2.85\% for seven- to ninety-day horizons. These results show that the proposed model performed better than other models in the literature.


Measuring Fairness in Financial Transaction Machine Learning Models

arXiv.org Artificial Intelligence

Mastercard, a global leader in financial services, develops and deploys machine learning models aimed at optimizing card usage and preventing attrition through advanced predictive models. These models use aggregated and anonymized card usage patterns, including cross-border transactions and industry-specific spending, to tailor bank offerings and maximize revenue opportunities. Mastercard has established an AI Governance program, based on its Data and Tech Responsibility Principles, to evaluate any built and bought AI for efficacy, fairness, and transparency. As part of this effort, Mastercard has sought expertise from the Turing Institute through a Data Study Group to better assess fairness in more complex AI/ML models. The Data Study Group challenge lies in defining, measuring, and mitigating fairness in these predictions, which can be complex due to the various interpretations of fairness, gaps in the research literature, and ML-operations challenges.


Reviews: Improved Precision and Recall Metric for Assessing Generative Models

Neural Information Processing Systems

Originality: This paper uses similar intuition as [1]. Precision should represent the generated images captured by real images and the recall should represent the real images should be captured by generated images. Instead of using PR curve, the authors use two values definition as information retrieval metric and claim it is better by showing counterexample in StyleGAN with truncation trick. I think the main contribution is the empirical evaluations on large-scale GANs. They evaluated StyleGAN and BigGAN and show the tradeoff between precision and recall by controlling the truncation trick.


Reviews: Improved Precision and Recall Metric for Assessing Generative Models

Neural Information Processing Systems

This paper proposes a new metric for mode collapse, which is a scalar value that can be read off from previously proposed measure of mode collapse in PacGAN. Precisely, in the mode collapse region, one can read the two points: (i) where the mode collapse region touches vertical axis ( \delta -axis) and (ii) where the mode collapse r region touches \delta 1 line. Each one is exactly the same as P_r(support{P_g}) and P_g(support{P_r}) that defend the proposed scalar valued mode collapse measure. This should be explained precisely in the paper, as (i) PacGAN introduced a proper mathematical notion of mode collapse earlier, (ii) the mode collapse region strictly generalizes the proposed metric (iii) mode collapse regions is the foundation of understanding mode collapse theoretically. A new estimator based on nearest neighbor distances are proposed, with extensive numerical validation of the proposed metric.


Separated Inter/Intra-Modal Fusion Prompts for Compositional Zero-Shot Learning

arXiv.org Artificial Intelligence

Compositional Zero-Shot Learning (CZSL) aims to recognize subtle differences in meaning or the combination of states and objects through the use of known and unknown concepts during training. Existing methods either focused on prompt configuration or on using prompts to tune the pre-trained Vision-Language model. However, these methods faced challenges in accurately identifying subtle differences in meaning or combining states with objects. To jointly eradicate the above issues and construct an efficient and effective CZSL technique, we suggest a method to improve attribute recognition performance by utilizing diverse Prompt Learning with an Inter/Intra-Modality Fusion Synthesizer in scene understanding involving subtle semantic differences and multiple objects. NTRODUCTION When encountering a new thing, such as a blue cat, people often attempt to name it despite the challenge of linking "blue" and "cat"' together. Compositional Zero-Shot Learning (CZSL) aims to recognize and distinguish new concepts.


An End-to-End Approach for Korean Wakeword Systems with Speaker Authentication

arXiv.org Artificial Intelligence

Wakeword detection plays a critical role in enabling AI assistants to listen to user voices and interact effectively. However, for languages other than English, there is a significant lack of pre-trained wakeword models. Additionally, systems that merely determine the presence of a wakeword can pose serious privacy concerns. In this paper, we propose an end-to-end approach that trains wakewords for Non-English languages, particulary Korean, and uses this to develop a Voice Authentication model to protect user privacy. Our implementation employs an open-source platform OpenWakeWord, which performs wakeword detection using an FCN (Fully-Connected Network) architecture. Once a wakeword is detected, our custom-developed code calculates cosine similarity for robust user authentication. Experimental results demonstrate the effectiveness of our approach, achieving a 16.79% and a 6.6% Equal Error Rate (EER) each in the Wakeword Detection and the Voice Authentication. These findings highlight the model's potential in providing secure and accurate wakeword detection and authentication for Korean users.


Towards Robust Multi-tab Website Fingerprinting

arXiv.org Artificial Intelligence

Website fingerprinting enables an eavesdropper to determine which websites a user is visiting over an encrypted connection. State-of-the-art website fingerprinting (WF) attacks have demonstrated effectiveness even against Tor-protected network traffic. However, existing WF attacks have critical limitations on accurately identifying websites in multi-tab browsing sessions, where the holistic pattern of individual websites is no longer preserved, and the number of tabs opened by a client is unknown a priori. In this paper, we propose ARES, a novel WF framework natively designed for multi-tab WF attacks. ARES formulates the multi-tab attack as a multi-label classification problem and solves it using the novel Transformer-based models. Specifically, ARES extracts local patterns based on multi-level traffic aggregation features and utilizes the improved self-attention mechanism to analyze the correlations between these local patterns, effectively identifying websites. We implement a prototype of ARES and extensively evaluate its effectiveness using our large-scale datasets collected over multiple months. The experimental results illustrate that ARES achieves optimal performance in several realistic scenarios. Further, ARES remains robust even against various WF defenses.


Enhancing Privacy in the Early Detection of Sexual Predators Through Federated Learning and Differential Privacy

arXiv.org Artificial Intelligence

The increased screen time and isolation caused by the COVID-19 pandemic have led to a significant surge in cases of online grooming, which is the use of strategies by predators to lure children into sexual exploitation. Previous efforts to detect grooming in industry and academia have involved accessing and monitoring private conversations through centrally-trained models or sending private conversations to a global server. In this work, we implement a privacy-preserving pipeline for the early detection of sexual predators. We leverage federated learning and differential privacy in order to create safer online spaces for children while respecting their privacy. We investigate various privacy-preserving implementations and discuss their benefits and shortcomings. Our extensive evaluation using real-world data proves that privacy and utility can coexist with only a slight reduction in utility.