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CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

arXiv.org Machine Learning

Advances in graph machine learning (ML) have been driven by applications in chemistry as graphs have remained the most expressive representations of molecules. While early graph ML methods focused primarily on small organic molecules, recently, the scope of graph ML has expanded to include inorganic materials. Modelling the periodicity and symmetry of inorganic crystalline materials poses unique challenges, which existing graph ML methods are unable to address. Moving to inorganic nanomaterials increases complexity as the scale of number of nodes within each graph can be broad ($10$ to $10^5$). The bulk of existing graph ML focuses on characterising molecules and materials by predicting target properties with graphs as input. However, the most exciting applications of graph ML will be in their generative capabilities, which is currently not at par with other domains such as images or text. We invite the graph ML community to address these open challenges by presenting two new chemically-informed large-scale inorganic (CHILI) nanomaterials datasets: A medium-scale dataset (with overall >6M nodes, >49M edges) of mono-metallic oxide nanomaterials generated from 12 selected crystal types (CHILI-3K) and a large-scale dataset (with overall >183M nodes, >1.2B edges) of nanomaterials generated from experimentally determined crystal structures (CHILI-100K). We define 11 property prediction tasks and 6 structure prediction tasks, which are of special interest for nanomaterial research. We benchmark the performance of a wide array of baseline methods and use these benchmarking results to highlight areas which need future work. To the best of our knowledge, CHILI-3K and CHILI-100K are the first open-source nanomaterial datasets of this scale -- both on the individual graph level and of the dataset as a whole -- and the only nanomaterials datasets with high structural and elemental diversity.


Yemen's Houthi rebels continue to launch attacks despite month of US-led airstrikes

FOX News

Former Acting Defense Secretary Chris Miller joined'Fox & Friends' to discuss the latest on the escalation in the Middle East as the U.S. continues to strike Iranian proxies. Despite a month of U.S.-led airstrikes, Yemen's Iran-backed Houthi rebels remain capable of launching significant attacks -- just this week, they seriously damaged a ship in a crucial strait and apparently downed an American drone worth tens of millions of dollars. The continued assaults by the Houthis on shipping through the crucial Red Sea corridor -- the Bab el-Mandeb Strait -- against the backdrop of Israel's war on Hamas in the Gaza Strip underscore the challenges in trying to stop the guerrilla-style attacks that have seen them hold onto Yemen's capital and much of the war-ravaged country's north since 2014. Meanwhile, the campaign has boosted the rebels' standing in the Arab world, despite their own human rights abuses in a yearslong stalemated war with several of America's allies in the region. And the longer their attacks go on, analysts warn the greater the risk that disruptions to international shipping will begin to weigh down on the global economy.


Tinder swipes left on catfishes: Dating app now lets US and UK users scan their passport or driving license to confirm their identity

Daily Mail - Science & tech

Parents might have once cautioned against speaking to strangers on the internet. But dating apps are now one of the most common ways for couples around the world to meet. Matching with strangers still has its drawbacks, including the risk of being'catfished'. But help is at hand, as Tinder has launched new verification tools in the UK and US that let users scan their passport or driving licence to confirm their identity. 'Giving users more confidence that their matches are authentic is one of the most valuable things we can do for our users,' said Rory Kozoll, SVP Product Integrity at Tinder.


Gl\'orIA -- A Generative and Open Large Language Model for Portuguese

arXiv.org Artificial Intelligence

Significant strides have been made in natural language tasks, largely attributed to the emergence of powerful large language models (LLMs). These models, pre-trained on extensive and diverse corpora, have become increasingly capable of comprehending the intricacies of language. Despite the abundance of LLMs for many high-resource languages, the availability of such models remains limited for European Portuguese. We introduce Gl\'orIA, a robust European Portuguese decoder LLM. To pre-train Gl\'orIA, we assembled a comprehensive PT-PT text corpus comprising 35 billion tokens from various sources. We present our pre-training methodology, followed by an assessment of the model's effectiveness on multiple downstream tasks. Additionally, to evaluate our models' language modeling capabilities, we introduce CALAME-PT (Context-Aware LAnguage Modeling Evaluation for Portuguese), the first Portuguese zero-shot language-modeling benchmark. Evaluation shows that Gl\'orIA significantly outperforms existing open PT decoder models in language modeling and that it can generate sound, knowledge-rich, and coherent PT-PT text. The model also exhibits strong potential for various downstream tasks.


STENCIL: Submodular Mutual Information Based Weak Supervision for Cold-Start Active Learning

arXiv.org Artificial Intelligence

As supervised fine-tuning of pre-trained models within NLP applications increases in popularity, larger corpora of annotated data are required, especially with increasing parameter counts in large language models. Active learning, which attempts to mine and annotate unlabeled instances to improve model performance maximally fast, is a common choice for reducing the annotation cost; however, most methods typically ignore class imbalance and either assume access to initial annotated data or require multiple rounds of active learning selection before improving rare classes. We present STENCIL, which utilizes a set of text exemplars and the recently proposed submodular mutual information to select a set of weakly labeled rare-class instances that are then strongly labeled by an annotator. We show that STENCIL improves overall accuracy by $10\%-24\%$ and rare-class F-1 score by $17\%-40\%$ on multiple text classification datasets over common active learning methods within the class-imbalanced cold-start setting.


Understanding and Mitigating the Threat of Vec2Text to Dense Retrieval Systems

arXiv.org Artificial Intelligence

The introduction of Vec2Text, a technique for inverting text embeddings, has raised serious privacy concerns within dense retrieval systems utilizing text embeddings, including those provided by OpenAI and Cohere. This threat comes from the ability for a malicious attacker with access to text embeddings to reconstruct the original text. In this paper, we investigate various aspects of embedding models that could influence the recoverability of text using Vec2Text. Our exploration involves factors such as distance metrics, pooling functions, bottleneck pre-training, training with noise addition, embedding quantization, and embedding dimensions -- aspects not previously addressed in the original Vec2Text paper. Through a thorough analysis of these factors, our aim is to gain a deeper understanding of the critical elements impacting the trade-offs between text recoverability and retrieval effectiveness in dense retrieval systems. This analysis provides valuable insights for practitioners involved in designing privacy-aware dense retrieval systems. Additionally, we propose a straightforward fix for embedding transformation that ensures equal ranking effectiveness while mitigating the risk of text recoverability. Furthermore, we extend the application of Vec2Text to the separate task of corpus poisoning, where, theoretically, Vec2Text presents a more potent threat compared to previous attack methods. Notably, Vec2Text does not require access to the dense retriever's model parameters and can efficiently generate numerous adversarial passages. In summary, this study highlights the potential threat posed by Vec2Text to existing dense retrieval systems, while also presenting effective methods to patch and strengthen such systems against such risks.


HunFlair2 in a cross-corpus evaluation of biomedical named entity recognition and normalization tools

arXiv.org Artificial Intelligence

With the exponential growth of the life science literature, biomedical text mining (BTM) has become an essential technology for accelerating the extraction of insights from publications. Identifying named entities (e.g., diseases, drugs, or genes) in texts and their linkage to reference knowledge bases are crucial steps in BTM pipelines to enable information aggregation from different documents. However, tools for these two steps are rarely applied in the same context in which they were developed. Instead, they are applied in the wild, i.e., on application-dependent text collections different from those used for the tools' training, varying, e.g., in focus, genre, style, and text type. This raises the question of whether the reported performance of BTM tools can be trusted for downstream applications. Here, we report on the results of a carefully designed cross-corpus benchmark for named entity extraction, where tools were applied systematically to corpora not used during their training. Based on a survey of 28 published systems, we selected five for an in-depth analysis on three publicly available corpora encompassing four different entity types. Comparison between tools results in a mixed picture and shows that, in a cross-corpus setting, the performance is significantly lower than the one reported in an in-corpus setting. HunFlair2 showed the best performance on average, being closely followed by PubTator. Our results indicate that users of BTM tools should expect diminishing performances when applying them in the wild compared to original publications and show that further research is necessary to make BTM tools more robust.


User Modeling and User Profiling: A Comprehensive Survey

arXiv.org Artificial Intelligence

The integration of artificial intelligence (AI) into daily life, particularly through information retrieval and recommender systems, has necessitated advanced user modeling and profiling techniques to deliver personalized experiences. These techniques aim to construct accurate user representations based on the rich amounts of data generated through interactions with these systems. This paper presents a comprehensive survey of the current state, evolution, and future directions of user modeling and profiling research. We provide a historical overview, tracing the development from early stereotype models to the latest deep learning techniques, and propose a novel taxonomy that encompasses all active topics in this research area, including recent trends. Our survey highlights the paradigm shifts towards more sophisticated user profiling methods, emphasizing implicit data collection, multi-behavior modeling, and the integration of graph data structures. We also address the critical need for privacy-preserving techniques and the push towards explainability and fairness in user modeling approaches. By examining the definitions of core terminology, we aim to clarify ambiguities and foster a clearer understanding of the field by proposing two novel encyclopedic definitions of the main terms. Furthermore, we explore the application of user modeling in various domains, such as fake news detection, cybersecurity, and personalized education. This survey serves as a comprehensive resource for researchers and practitioners, offering insights into the evolution of user modeling and profiling and guiding the development of more personalized, ethical, and effective AI systems.


Backward Lens: Projecting Language Model Gradients into the Vocabulary Space

arXiv.org Artificial Intelligence

Understanding how Transformer-based Language Models (LMs) learn and recall information is a key goal of the deep learning community. Recent interpretability methods project weights and hidden states obtained from the forward pass to the models' vocabularies, helping to uncover how information flows within LMs. In this work, we extend this methodology to LMs' backward pass and gradients. We first prove that a gradient matrix can be cast as a low-rank linear combination of its forward and backward passes' inputs. We then develop methods to project these gradients into vocabulary Figure 1: An illustration depicting the tokens promoted items and explore the mechanics of how by a single LM's MLP layer and its gradient during the new information is stored in the LMs' neurons.


ChatEL: Entity Linking with Chatbots

arXiv.org Artificial Intelligence

Entity Linking (EL) is an essential and challenging task in natural language processing that seeks to link some text representing an entity within a document or sentence with its corresponding entry in a dictionary or knowledge base. Most existing approaches focus on creating elaborate contextual models that look for clues the words surrounding the entity-text to help solve the linking problem. Although these fine-tuned language models tend to work, they can be unwieldy, difficult to train, and do not transfer well to other domains. Fortunately, Large Language Models (LLMs) like GPT provide a highly-advanced solution to the problems inherent in EL models, but simply naive prompts to LLMs do not work well. In the present work, we define ChatEL, which is a three-step framework to prompt LLMs to return accurate results. Overall the ChatEL framework improves the average F1 performance across 10 datasets by more than 2%. Finally, a thorough error analysis shows many instances with the ground truth labels were actually incorrect, and the labels predicted by ChatEL were actually correct. This indicates that the quantitative results presented in this paper may be a conservative estimate of the actual performance.