Bayesian Neural Networks (BNNs) have become one of the promising approaches for uncertainty estimation due to the solid theorical foundations. However, the performance of BNNs is affected by the ability of catching uncertainty. Instead of only seeking the distribution of neural network weights by in-distribution (ID) data, in this paper, we propose a new Bayesian Neural Network with an Attached structure (ABNN) to catch more uncertainty from out-of-distribution (OOD) data. We first construct a mathematical description for the uncertainty of OOD data according to the prior distribution, and then develop an attached Bayesian structure to integrate the uncertainty of OOD data into the backbone network. ABNN is composed of an expectation module and several distribution modules. The expectation module is a backbone deep network which focuses on the original task, and the distribution modules are mini Bayesian structures which serve as attachments of the backbone. In particular, the distribution modules aim at extracting the uncertainty from both ID and OOD data. We further provide theoretical analysis for the convergence of ABNN, and experimentally validate its superiority by comparing with some state-of-the-art uncertainty estimation methods Code will be made available.
Deep Neural Networks (DNNs) are known to be vulnerable to backdoor attacks, posing concerning threats to their reliable deployment. Recent research reveals that backdoors can be erased from infected DNNs by pruning a specific group of neurons, while how to effectively identify and remove these backdoor-associated neurons remains an open challenge. Most of the existing defense methods rely on defined rules and focus on neuron's local properties, ignoring the exploration and optimization of pruning policies. To address this gap, we propose an Optimized Neuron Pruning (ONP) method combined with Graph Neural Network (GNN) and Reinforcement Learning (RL) to repair backdoor models. Specifically, ONP first models the target DNN as graphs based on neuron connectivity, and then uses GNN-based RL agents to learn graph embeddings and find a suitable pruning policy. To the best of our knowledge, this is the first attempt to employ GNN and RL for optimizing pruning policies in the field of backdoor defense. Experiments show, with a small amount of clean data, ONP can effectively prune the backdoor neurons implanted by a set of backdoor attacks at the cost of negligible performance degradation, achieving a new state-of-the-art performance for backdoor mitigation.
Large Language Models (LLMs) have demonstrated considerable cross-lingual alignment and generalization ability. Current research primarily focuses on improving LLMs' cross-lingual generalization capabilities. However, there is still a lack of research on the intrinsic mechanisms of how LLMs achieve cross-lingual alignment. From the perspective of region partitioning, this paper conducts several investigations on the linguistic competence of LLMs. We discover a core region in LLMs that corresponds to linguistic competence, accounting for approximately 1% of the total model parameters. Removing this core region by setting parameters to zero results in a significant performance decrease across 30 different languages. Furthermore, this core region exhibits significant dimensional dependency, perturbations to even a single parameter on specific dimensions leading to a loss of linguistic competence. Moreover, we discover that distinct monolingual regions exist for different languages, and disruption to these specific regions substantially reduces the LLMs' proficiency in those corresponding languages. Our research also indicates that freezing the core linguistic region during further pre-training can mitigate the issue of catastrophic forgetting (CF), a common phenomenon observed during further pre-training of LLMs. Overall, exploring the LLMs' functional regions provides insights into the foundation of their intelligence.
Large-language Models (LLMs) need to adopt Retrieval-Augmented Generation (RAG) to generate factual responses that are better suited to knowledge-based applications in the design process. We present a data-driven method to identify explicit facts of the form - head entity :: relationship :: tail entity from patented artefact descriptions. We train roBERTa Transformer-based sequence classification models using our proprietary dataset of 44,227 sentences. Upon classifying tokens in a sentence as entities or relationships, our method uses another classifier to identify specific relationship tokens for a given pair of entities. We compare the performances against linear classifiers and Graph Neural Networks (GNNs) that both incorporate BERT Transformer-based token embeddings to predict associations among the entities and relationships. We apply our method to 4,870 fan system related patents and populate a knowledge base that constitutes around 3 million facts. Using the knowledge base, we demonstrate retrieving generalisable and specific domain knowledge for contextualising LLMs.
Randomized Controlled Trials (RCTs) are pivotal in generating internally valid estimates with minimal assumptions, serving as a cornerstone for researchers dedicated to advancing causal inference methods. However, extending these findings beyond the experimental cohort to achieve externally valid estimates is crucial for broader scientific inquiry. This paper delves into the forefront of addressing these external validity challenges, encapsulating the essence of a multidisciplinary workshop held at the Institute for Computational and Experimental Research in Mathematics (ICERM), Brown University, in Fall 2023. The workshop congregated experts from diverse fields including social science, medicine, public health, statistics, computer science, and education, to tackle the unique obstacles each discipline faces in extrapolating experimental findings. Our study presents three key contributions: we integrate ongoing efforts, highlighting methodological synergies across fields; provide an exhaustive review of generalizability and transportability based on the workshop's discourse; and identify persistent hurdles while suggesting avenues for future research. By doing so, this paper aims to enhance the collective understanding of the generalizability and transportability of causal effects, fostering cross-disciplinary collaboration and offering valuable insights for researchers working on refining and applying causal inference methods.
Recent regulatory initiatives like the European AI Act and relevant voices in the Machine Learning (ML) community stress the need to describe datasets along several key dimensions for trustworthy AI, such as the provenance processes and social concerns. However, this information is typically presented as unstructured text in accompanying documentation, hampering their automated analysis and processing. In this work, we explore using large language models (LLM) and a set of prompting strategies to automatically extract these dimensions from documents and enrich the dataset description with them. Our approach could aid data publishers and practitioners in creating machine-readable documentation to improve the discoverability of their datasets, assess their compliance with current AI regulations, and improve the overall quality of ML models trained on them. In this paper, we evaluate the approach on 12 scientific dataset papers published in two scientific journals (Nature's Scientific Data and Elsevier's Data in Brief) using two different LLMs (GPT3.5 and Flan-UL2). Results show good accuracy with our prompt extraction strategies. Concrete results vary depending on the dimensions, but overall, GPT3.5 shows slightly better accuracy (81,21%) than FLAN-UL2 (69,13%) although it is more prone to hallucinations. We have released an open-source tool implementing our approach and a replication package, including the experiments' code and results, in an open-source repository.
Large Language Models (LLMs) have garnered considerable attention owing to their remarkable capabilities, leading to an increasing number of companies offering LLMs as services. Different LLMs achieve different performance at different costs. A challenge for users lies in choosing the LLMs that best fit their needs, balancing cost and performance. In this paper, we propose a framework for addressing the cost-effective query allocation problem for LLMs. Given a set of input queries and candidate LLMs, our framework, named OptLLM, provides users with a range of optimal solutions to choose from, aligning with their budget constraints and performance preferences, including options for maximizing accuracy and minimizing cost. OptLLM predicts the performance of candidate LLMs on each query using a multi-label classification model with uncertainty estimation and then iteratively generates a set of non-dominated solutions by destructing and reconstructing the current solution. To evaluate the effectiveness of OptLLM, we conduct extensive experiments on various types of tasks, including text classification, question answering, sentiment analysis, reasoning, and log parsing. Our experimental results demonstrate that OptLLM substantially reduces costs by 2.40% to 49.18% while achieving the same accuracy as the best LLM. Compared to other multi-objective optimization algorithms, OptLLM improves accuracy by 2.94% to 69.05% at the same cost or saves costs by 8.79% and 95.87% while maintaining the highest attainable accuracy.
The study of behavioral diversity in Multi-Agent Reinforcement Learning (MARL) is a nascent yet promising field. In this context, the present work deals with the question of how to control the diversity of a multi-agent system. With no existing approaches to control diversity to a set value, current solutions focus on blindly promoting it via intrinsic rewards or additional loss functions, effectively changing the learning objective and lacking a principled measure for it. To address this, we introduce Diversity Control (DiCo), a method able to control diversity to an exact value of a given metric by representing policies as the sum of a parameter-shared component and dynamically scaled per-agent components. By applying constraints directly to the policy architecture, DiCo leaves the learning objective unchanged, enabling its applicability to any actor-critic MARL algorithm. We theoretically prove that DiCo achieves the desired diversity, and we provide several experiments, both in cooperative and competitive tasks, that show how DiCo can be employed as a novel paradigm to increase performance and sample efficiency in MARL. Multimedia results are available on the paper's website: //sites.google.com/view/dico-marl.
Large Language Models (LLMs) have significantly advanced natural language processing (NLP) with their impressive language understanding and generation capabilities. However, their performance may be suboptimal for long-tail or domain-specific tasks due to limited exposure to domain-specific knowledge and vocabulary. Additionally, the lack of transparency of most state-of-the-art (SOTA) LLMs, which can only be accessed via APIs, impedes further fine-tuning with custom data. Moreover, data privacy is a significant concern. To address these challenges, we propose the novel Parametric Knowledge Guiding (PKG) framework, which equips LLMs with a knowledge-guiding module to access relevant knowledge at runtime without altering the LLMs' parameters. Our PKG is based on open-source "white-box" small language models, allowing offline storage of any knowledge that LLMs require. We demonstrate that our PKG framework can enhance the performance of "black-box" LLMs on a range of long-tail and domain-specific downstream tasks requiring factual, tabular, medical, and multimodal knowledge.
Recently, a considerable literature has grown up around the theme of Graph Convolutional Network (GCN). How to effectively leverage the rich structural information in complex graphs, such as knowledge graphs with heterogeneous types of entities and relations, is a primary open challenge in the field. Most GCN methods are either restricted to graphs with a homogeneous type of edges (e.g., citation links only), or focusing on representation learning for nodes only instead of jointly propagating and updating the embeddings of both nodes and edges for target-driven objectives. This paper addresses these limitations by proposing a novel framework, namely the Knowledge Embedding based Graph Convolutional Network (KE-GCN), which combines the power of GCNs in graph-based belief propagation and the strengths of advanced knowledge embedding (a.k.a. knowledge graph embedding) methods, and goes beyond. Our theoretical analysis shows that KE-GCN offers an elegant unification of several well-known GCN methods as specific cases, with a new perspective of graph convolution. Experimental results on benchmark datasets show the advantageous performance of KE-GCN over strong baseline methods in the tasks of knowledge graph alignment and entity classification.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.