This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we primarily focus on two critical tasks of information extraction: (i) a named entity recognition (NER) of studied materials and physical properties and (ii) a relation extraction (RE) between these entities. Due to the evident lack of datasets within Materials Informatics (MI), we evaluated using SuperMat, based on superconductor research, and MeasEval, a generic measurement evaluation corpus. The performance of LLMs in executing these tasks is benchmarked against traditional models based on the BERT architecture and rule-based approaches (baseline). We introduce a novel methodology for the comparative analysis of intricate material expressions, emphasising the standardisation of chemical formulas to tackle the complexities inherent in materials science information assessment. For NER, LLMs fail to outperform the baseline with zero-shot prompting and exhibit only limited improvement with few-shot prompting. However, a GPT-3.5-Turbo fine-tuned with the appropriate strategy for RE outperforms all models, including the baseline. Without any fine-tuning, GPT-4 and GPT-4-Turbo display remarkable reasoning and relationship extraction capabilities after being provided with merely a couple of examples, surpassing the baseline. Overall, the results suggest that although LLMs demonstrate relevant reasoning skills in connecting concepts, specialised models are currently a better choice for tasks requiring extracting complex domain-specific entities like materials. These insights provide initial guidance applicable to other materials science sub-domains in future work.
Analysis of geospatial data has traditionally been model-based, with a mean model, customarily specified as a linear regression on the covariates, and a covariance model, encoding the spatial dependence. We relax the strong assumption of linearity and propose embedding neural networks directly within the traditional geostatistical models to accommodate non-linear mean functions while retaining all other advantages including use of Gaussian Processes to explicitly model the spatial covariance, enabling inference on the covariate effect through the mean and on the spatial dependence through the covariance, and offering predictions at new locations via kriging. We propose NN-GLS, a new neural network estimation algorithm for the non-linear mean in GP models that explicitly accounts for the spatial covariance through generalized least squares (GLS), the same loss used in the linear case. We show that NN-GLS admits a representation as a special type of graph neural network (GNN). This connection facilitates use of standard neural network computational techniques for irregular geospatial data, enabling novel and scalable mini-batching, backpropagation, and kriging schemes. Theoretically, we show that NN-GLS will be consistent for irregularly observed spatially correlated data processes. We also provide a finite sample concentration rate, which quantifies the need to accurately model the spatial covariance in neural networks for dependent data. To our knowledge, these are the first large-sample results for any neural network algorithm for irregular spatial data. We demonstrate the methodology through simulated and real datasets.
We present BadGD, a unified theoretical framework that exposes the vulnerabilities of gradient descent algorithms through strategic backdoor attacks. Backdoor attacks involve embedding malicious triggers into a training dataset to disrupt the model's learning process. Our framework introduces three novel constructs: Max RiskWarp Trigger, Max GradWarp Trigger, and Max GradDistWarp Trigger, each designed to exploit specific aspects of gradient descent by distorting empirical risk, deterministic gradients, and stochastic gradients respectively. We rigorously define clean and backdoored datasets and provide mathematical formulations for assessing the distortions caused by these malicious backdoor triggers. By measuring the impact of these triggers on the model training procedure, our framework bridges existing empirical findings with theoretical insights, demonstrating how a malicious party can exploit gradient descent hyperparameters to maximize attack effectiveness. In particular, we show that these exploitations can significantly alter the loss landscape and gradient calculations, leading to compromised model integrity and performance. This research underscores the severe threats posed by such data-centric attacks and highlights the urgent need for robust defenses in machine learning. BadGD sets a new standard for understanding and mitigating adversarial manipulations, ensuring the reliability and security of AI systems.
Random probabilities are a key component to many nonparametric methods in Statistics and Machine Learning. To quantify comparisons between different laws of random probabilities several works are starting to use the elegant Wasserstein over Wasserstein distance. In this paper we prove that the infinite dimensionality of the space of probabilities drastically deteriorates its sample complexity, which is slower than any polynomial rate in the sample size. We propose a new distance that preserves many desirable properties of the former while achieving a parametric rate of convergence. In particular, our distance 1) metrizes weak convergence; 2) can be estimated numerically through samples with low complexity; 3) can be bounded analytically from above and below. The main ingredient are integral probability metrics, which lead to the name hierarchical IPM.
Pre-training has been a necessary phase for deploying pre-trained language models (PLMs) to achieve remarkable performance in downstream tasks. However, we empirically show that backdoor attacks exploit such a phase as a vulnerable entry point for task-agnostic. In this paper, we first propose $\mathtt{maxEntropy}$, an entropy-based poisoning filtering defense, to prove that existing task-agnostic backdoors are easily exposed, due to explicit triggers used. Then, we present $\mathtt{SynGhost}$, an imperceptible and universal task-agnostic backdoor attack in PLMs. Specifically, $\mathtt{SynGhost}$ hostilely manipulates clean samples through different syntactic and then maps the backdoor to representation space without disturbing the primitive representation. $\mathtt{SynGhost}$ further leverages contrastive learning to achieve universal, which performs a uniform distribution of backdoors in the representation space. In light of the syntactic properties, we also introduce an awareness module to alleviate the interference between different syntactic. Experiments show that $\mathtt{SynGhost}$ holds more serious threats. Not only do severe harmfulness to various downstream tasks on two tuning paradigms but also to any PLMs. Meanwhile, $\mathtt{SynGhost}$ is imperceptible against three countermeasures based on perplexity, fine-pruning, and the proposed $\mathtt{maxEntropy}$.
Cultural bias is pervasive in many large language models (LLMs), largely due to the deficiency of data representative of different cultures. Typically, cultural datasets and benchmarks are constructed either by extracting subsets of existing datasets or by aggregating from platforms such as Wikipedia and social media. However, these approaches are highly dependent on real-world data and human annotations, making them costly and difficult to scale. Inspired by cognitive theories on social communication, this paper introduces CulturePark, an LLM-powered multi-agent communication framework for cultural data collection. CulturePark simulates cross-cultural human communication with LLM-based agents playing roles in different cultures. It generates high-quality cross-cultural dialogues encapsulating human beliefs, norms, and customs. Using CulturePark, we generated 41,000 cultural samples to fine-tune eight culture-specific LLMs. We evaluated these models across three downstream tasks: content moderation, cultural alignment, and cultural education. Results show that for content moderation, our GPT-3.5-based models either match or outperform GPT-4 on datasets. Regarding cultural alignment, our models surpass GPT-4 on Hofstede's VSM 13 framework. Furthermore, for cultural education of human participants, our models demonstrate superior outcomes in both learning efficacy and user experience compared to GPT-4. CulturePark proves an important step in addressing cultural bias and advancing the democratization of AI, highlighting the critical role of culturally inclusive data in model training.
In modern data analysis, it is common to use machine learning methods to predict outcomes on unlabeled datasets and then use these pseudo-outcomes in subsequent statistical inference. Inference in this setting is often called post-prediction inference. We propose a novel assumption-lean framework for statistical inference under post-prediction setting, called Prediction De-Correlated Inference (PDC). Our approach is safe, in the sense that PDC can automatically adapt to any black-box machine-learning model and consistently outperform the supervised counterparts. The PDC framework also offers easy extensibility for accommodating multiple predictive models. Both numerical results and real-world data analysis demonstrate the superiority of PDC over the state-of-the-art methods.
This paper describes a rapid feasibility study of using GPT-4, a large language model (LLM), to (semi)automate data extraction in systematic reviews. Despite the recent surge of interest in LLMs there is still a lack of understanding of how to design LLM-based automation tools and how to robustly evaluate their performance. During the 2023 Evidence Synthesis Hackathon we conducted two feasibility studies. Firstly, to automatically extract study characteristics from human clinical, animal, and social science domain studies. We used two studies from each category for prompt-development; and ten for evaluation. Secondly, we used the LLM to predict Participants, Interventions, Controls and Outcomes (PICOs) labelled within 100 abstracts in the EBM-NLP dataset. Overall, results indicated an accuracy of around 80%, with some variability between domains (82% for human clinical, 80% for animal, and 72% for studies of human social sciences). Causal inference methods and study design were the data extraction items with the most errors. In the PICO study, participants and intervention/control showed high accuracy (>80%), outcomes were more challenging. Evaluation was done manually; scoring methods such as BLEU and ROUGE showed limited value. We observed variability in the LLMs predictions and changes in response quality. This paper presents a template for future evaluations of LLMs in the context of data extraction for systematic review automation. Our results show that there might be value in using LLMs, for example as second or third reviewers. However, caution is advised when integrating models such as GPT-4 into tools. Further research on stability and reliability in practical settings is warranted for each type of data that is processed by the LLM.
Predicting potential long-time contributors (LTCs) early allows project maintainers to effectively allocate resources and mentoring to enhance their development and retention. Mapping programming language expertise to developers and characterizing projects in terms of how they use programming languages can help identify developers who are more likely to become LTCs. However, prior studies on predicting LTCs do not consider programming language skills. This paper reports an empirical study on the usage of knowledge units (KUs) of the Java programming language to predict LTCs. A KU is a cohesive set of key capabilities that are offered by one or more building blocks of a given programming language. We build a prediction model called KULTC, which leverages KU-based features along five different dimensions. We detect and analyze KUs from the studied 75 Java projects (353K commits and 168K pull requests) as well as 4,219 other Java projects in which the studied developers previously worked (1.7M commits). We compare the performance of KULTC with the state-of-the-art model, which we call BAOLTC. Even though KULTC focuses exclusively on the programming language perspective, KULTC achieves a median AUC of at least 0.75 and significantly outperforms BAOLTC. Combining the features of KULTC with the features of BAOLTC results in an enhanced model (KULTC+BAOLTC) that significantly outperforms BAOLTC with a normalized AUC improvement of 16.5%. Our feature importance analysis with SHAP reveals that developer expertise in the studied project is the most influential feature dimension for predicting LTCs. Finally, we develop a cost-effective model (KULTC_DEV_EXP+BAOLTC) that significantly outperforms BAOLTC. These encouraging results can be helpful to researchers who wish to further study the developers' engagement/retention to FLOSS projects or build models for predicting LTCs.
Transformer-based pretrained language models (T-PTLMs) have achieved great success in almost every NLP task. The evolution of these models started with GPT and BERT. These models are built on the top of transformers, self-supervised learning and transfer learning. Transformed-based PTLMs learn universal language representations from large volumes of text data using self-supervised learning and transfer this knowledge to downstream tasks. These models provide good background knowledge to downstream tasks which avoids training of downstream models from scratch. In this comprehensive survey paper, we initially give a brief overview of self-supervised learning. Next, we explain various core concepts like pretraining, pretraining methods, pretraining tasks, embeddings and downstream adaptation methods. Next, we present a new taxonomy of T-PTLMs and then give brief overview of various benchmarks including both intrinsic and extrinsic. We present a summary of various useful libraries to work with T-PTLMs. Finally, we highlight some of the future research directions which will further improve these models. We strongly believe that this comprehensive survey paper will serve as a good reference to learn the core concepts as well as to stay updated with the recent happenings in T-PTLMs.
We introduce a new language representation model called BERT, which stands for Bidirectional Encoder Representations from Transformers. Unlike recent language representation models, BERT is designed to pre-train deep bidirectional representations from unlabeled text by jointly conditioning on both left and right context in all layers. As a result, the pre-trained BERT model can be fine-tuned with just one additional output layer to create state-of-the-art models for a wide range of tasks, such as question answering and language inference, without substantial task-specific architecture modifications. BERT is conceptually simple and empirically powerful. It obtains new state-of-the-art results on eleven natural language processing tasks, including pushing the GLUE score to 80.5% (7.7% point absolute improvement), MultiNLI accuracy to 86.7% (4.6% absolute improvement), SQuAD v1.1 question answering Test F1 to 93.2 (1.5 point absolute improvement) and SQuAD v2.0 Test F1 to 83.1 (5.1 point absolute improvement).