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Advances in self-supervised learning (SSL) for machine vision have improved representation robustness and model performance, giving rise to pre-trained backbones like \emph{ResNet} and \emph{ViT} models tuned with SSL methods such as \emph{SimCLR}. Due to the computational and data demands of pre-training, the utilization of such backbones becomes a strenuous necessity. However, employing these backbones may inherit vulnerabilities to adversarial attacks. While adversarial robustness has been studied under \emph{white-box} and \emph{black-box} settings, the robustness of models tuned on pre-trained backbones remains largely unexplored. Additionally, the role of tuning meta-information in mitigating exploitation risks is unclear. This work systematically evaluates the adversarial robustness of such models across $20,000$ combinations of tuning meta-information, including fine-tuning techniques, backbone families, datasets, and attack types. We propose using proxy models to transfer attacks, simulating varying levels of target knowledge by fine-tuning these proxies with diverse configurations. Our findings reveal that proxy-based attacks approach the effectiveness of \emph{white-box} methods, even with minimal tuning knowledge. We also introduce a naive "backbone attack," leveraging only the backbone to generate adversarial samples, which outperforms \emph{black-box} attacks and rivals \emph{white-box} methods, highlighting critical risks in model-sharing practices. Finally, our ablations reveal how increasing tuning meta-information impacts attack transferability, measuring each meta-information combination.

We address the problem of reward hacking, where maximising a proxy reward does not necessarily increase the true reward. This is a key concern for Large Language Models (LLMs), as they are often fine-tuned on human preferences that may not accurately reflect a true objective. Existing work uses various tricks such as regularisation, tweaks to the reward model, and reward hacking detectors, to limit the influence that such proxy preferences have on a model. Luckily, in many contexts such as medicine, education, and law, a sparse amount of expert data is often available. In these cases, it is often unclear whether the addition of proxy data can improve policy learning. We outline a set of sufficient conditions on proxy feedback that, if satisfied, indicate that proxy data can provably improve the sample complexity of learning the ground truth policy. These conditions can inform the data collection process for specific tasks. The result implies a parameterisation for LLMs that achieves this improved sample complexity. We detail how one can adapt existing architectures to yield this improved sample complexity.

In-context learning (ICL) adapts LLMs by providing demonstrations without fine-tuning the model parameters; however, it does not differentiate between demonstrations and quadratically increases the complexity of Transformer LLMs, exhausting the memory. As a solution, we propose Mixtures of In-Context Learners (MoICL), a novel approach to treat subsets of demonstrations as experts and learn a weighting function to merge their output distributions based on a training set. In our experiments, we show performance improvements on 5 out of 7 classification datasets compared to a set of strong baselines (up to +13\% compared to ICL and LENS). Moreover, we enhance the Pareto frontier of ICL by reducing the inference time needed to achieve the same performance with fewer demonstrations. Finally, MoICL is more robust to out-of-domain (up to +11\%), imbalanced (up to +49\%), or noisy demonstrations (up to +38\%) or can filter these out from datasets. Overall, MoICL is a more expressive approach to learning from demonstrations without exhausting the context window or memory.

As language models (LMs) approach human-level performance, a comprehensive understanding of their behavior becomes crucial. This includes evaluating capabilities, biases, task performance, and alignment with societal values. Extensive initial evaluations, including red teaming and diverse benchmarking, can establish a model's behavioral profile. However, subsequent fine-tuning or deployment modifications may alter these behaviors in unintended ways. We present a method for continual Behavioral Shift Auditing (BSA) in LMs. Building on recent work in hypothesis testing, our auditing test detects behavioral shifts solely through model generations. Our test compares model generations from a baseline model to those of the model under scrutiny and provides theoretical guarantees for change detection while controlling false positives. The test features a configurable tolerance parameter that adjusts sensitivity to behavioral changes for different use cases. We evaluate our approach using two case studies: monitoring changes in (a) toxicity and (b) translation performance. We find that the test is able to detect meaningful changes in behavior distributions using just hundreds of examples., Comment: 25 pages, 12 figures

Complex query answering (CQA) on knowledge graphs (KGs) is gaining momentum as a challenging reasoning task. In this paper, we show that the current benchmarks for CQA are not really complex, and the way they are built distorts our perception of progress in this field. For example, we find that in these benchmarks, most queries (up to 98% for some query types) can be reduced to simpler problems, e.g., link prediction, where only one link needs to be predicted. The performance of state-of-the-art CQA models drops significantly when such models are evaluated on queries that cannot be reduced to easier types. Thus, we propose a set of more challenging benchmarks, composed of queries that require models to reason over multiple hops and better reflect the construction of real-world KGs. In a systematic empirical investigation, the new benchmarks show that current methods leave much to be desired from current CQA methods.

Modern Question Answering (QA) and Reasoning approaches based on Large Language Models (LLMs) commonly use prompting techniques, such as Chain-of-Thought (CoT), assuming the resulting generation will have a more granular exploration and reasoning over the question space and scope. However, such methods struggle with generating outputs that are faithful to the intermediate chain of reasoning produced by the model. On the other end of the spectrum, neuro-symbolic methods such as Faithful CoT (F-CoT) propose to combine LLMs with external symbolic solvers. While such approaches boast a high degree of faithfulness, they usually require a model trained for code generation and struggle with tasks that are ambiguous or hard to formalise strictly. We introduce $\textbf{F}$aithful $\textbf{L}$ogic-$\textbf{A}$ided $\textbf{R}$easoning and $\textbf{E}$xploration ($\textbf{FLARE}$), a novel interpretable approach for traversing the problem space using task decompositions. We use the LLM to plan a solution, soft-formalise the query into facts and predicates using a logic programming code and simulate that code execution using an exhaustive multi-hop search over the defined space. Our method allows us to compute the faithfulness of the reasoning process w.r.t. the generated code and analyse the steps of the multi-hop search without relying on external solvers. Our methods achieve SOTA results on $\mathbf{7}$ out of $\mathbf{9}$ diverse reasoning benchmarks. We also show that model faithfulness positively correlates with overall performance and further demonstrate that $\textbf{FLARE}$ allows pinpointing the decisive factors sufficient for and leading to the correct answer with optimal reasoning during the multi-hop search.

The inference demand for LLMs has skyrocketed in recent months, and serving models with low latencies remains challenging due to the quadratic input length complexity of the attention layers. In this work, we investigate the effect of dropping MLP and attention layers at inference time on the performance of Llama-v2 models. We find that dropping dreeper attention layers only marginally decreases performance but leads to the best speedups alongside dropping entire layers. For example, removing 33\% of attention layers in a 13B Llama2 model results in a 1.8\% drop in average performance over the OpenLLM benchmark. We also observe that skipping layers except the latter layers reduces performances for more layers skipped, except for skipping the attention layers.

Question Answering (QA) datasets have been instrumental in developing and evaluating Large Language Model (LLM) capabilities. However, such datasets are scarce for languages other than English due to the cost and difficulties of collection and manual annotation. This means that producing novel models and measuring the performance of multilingual LLMs in low-resource languages is challenging. To mitigate this, we propose $\textbf{S}$yn$\textbf{DAR}$in, a method for generating and validating QA datasets for low-resource languages. We utilize parallel content mining to obtain $\textit{human-curated}$ paragraphs between English and the target language. We use the English data as context to $\textit{generate}$ synthetic multiple-choice (MC) question-answer pairs, which are automatically translated and further validated for quality. Combining these with their designated non-English $\textit{human-curated}$ paragraphs form the final QA dataset. The method allows to maintain the content quality, reduces the likelihood of factual errors, and circumvents the need for costly annotation. To test the method, we created a QA dataset with $1.2$K samples for the Armenian language. The human evaluation shows that $98\%$ of the generated English data maintains quality and diversity in the question types and topics, while the translation validation pipeline can filter out $\sim70\%$ of data with poor quality. We use the dataset to benchmark state-of-the-art LLMs, showing their inability to achieve human accuracy with some model performances closer to random chance. This shows that the generated dataset is non-trivial and can be used to evaluate reasoning capabilities in low-resource language.

Multilingual Large Language Models (LLMs) achieve remarkable levels of zero-shot cross-lingual transfer performance. We speculate that this is predicated on their ability to align languages without explicit supervision from parallel sentences. While representations of translationally equivalent sentences in different languages are known to be similar after convergence, however, it remains unclear how such cross-lingual alignment emerges during pre-training of LLMs. Our study leverages intrinsic probing techniques, which identify which subsets of neurons encode linguistic features, to correlate the degree of cross-lingual neuron overlap with the zero-shot cross-lingual transfer performance for a given model. In particular, we rely on checkpoints of BLOOM, a multilingual autoregressive LLM, across different training steps and model scales. We observe a high correlation between neuron overlap and downstream performance, which supports our hypothesis on the conditions leading to effective cross-lingual transfer. Interestingly, we also detect a degradation of both implicit alignment and multilingual abilities in certain phases of the pre-training process, providing new insights into the multilingual pretraining dynamics., Comment: Accepted to Findings of the Association for Computational Linguistics: ACL 2024

State-of-the-art neurosymbolic learning systems use probabilistic reasoning to guide neural networks towards predictions that conform to logical constraints over symbols. Many such systems assume that the probabilities of the considered symbols are conditionally independent given the input to simplify learning and reasoning. We study and criticise this assumption, highlighting how it can hinder optimisation and prevent uncertainty quantification. We prove that loss functions bias conditionally independent neural networks to become overconfident in their predictions. As a result, they are unable to represent uncertainty over multiple valid options. Furthermore, we prove that these loss functions are difficult to optimise: they are non-convex, and their minima are usually highly disconnected. Our theoretical analysis gives the foundation for replacing the conditional independence assumption and designing more expressive neurosymbolic probabilistic models., Comment: Accepted at ICML 2024

The escalating demand to migrate legacy software across different Instruction Set Architectures (ISAs) has driven the development of assembly-to-assembly translators to map between their respective assembly languages. However, the development of these tools requires substantial engineering effort. State-of-the-art approaches use lifting, a technique where source assembly code is translated to an architecture-independent intermediate representation (IR) (for example, the LLVM IR) and use a pre-existing compiler to recompile the IR to the target ISA. However, the hand-written rules these lifters employ are sensitive to the particular compiler and optimization level used to generate the code and require significant engineering effort to support each new ISA. We propose Forklift, the first neural lifter that learns how to translate assembly to LLVM IR using a token-level encoder-decoder Transformer. We show how to incrementally add support to new ISAs by fine tuning the assembly encoder and freezing the IR decoder, improving the overall accuracy and efficiency. We collect millions of parallel LLVM IR, x86, ARM, and RISC-V programs across compilers and optimization levels to train Forklift and set up an input/output-based accuracy harness. We evaluate Forklift on two challenging benchmark suites and translate 2.5x more x86 programs than a state-of-the-art hand-written lifter and 4.4x more x86 programs than GPT-4 as well as enabling translation from new ISAs.

This article summarizes principles and ideas from the emerging area of applying \textit{conditional computation} methods to the design of neural networks. In particular, we focus on neural networks that can dynamically activate or de-activate parts of their computational graph conditionally on their input. Examples include the dynamic selection of, e.g., input tokens, layers (or sets of layers), and sub-modules inside each layer (e.g., channels in a convolutional filter). We first provide a general formalism to describe these techniques in an uniform way. Then, we introduce three notable implementations of these principles: mixture-of-experts (MoEs) networks, token selection mechanisms, and early-exit neural networks. The paper aims to provide a tutorial-like introduction to this growing field. To this end, we analyze the benefits of these modular designs in terms of efficiency, explainability, and transfer learning, with a focus on emerging applicative areas ranging from automated scientific discovery to semantic communication.

While transformer models have been highly successful, they are computationally inefficient. We observe that for each layer, the full width of the layer may be needed only for a small subset of tokens inside a batch and that the "effective" width needed to process a token can vary from layer to layer. Motivated by this observation, we introduce the Adaptive Computation Module (ACM), a generic module that dynamically adapts its computational load to match the estimated difficulty of the input on a per-token basis. An ACM consists of a sequence of learners that progressively refine the output of their preceding counterparts. An additional gating mechanism determines the optimal number of learners to execute for each token. We also propose a distillation technique to replace any pre-trained model with an "ACMized" variant. Our evaluation of transformer models in computer vision and speech recognition demonstrates that substituting layers with ACMs significantly reduces inference costs without degrading the downstream accuracy for a wide interval of user-defined budgets.

Most algorithms for representation learning and link prediction on relational data are designed for static data. However, the data to which they are applied typically evolves over time, including online social networks or interactions between users and items in recommender systems. This is also the case for graph-structured knowledge bases -- knowledge graphs -- which contain facts that are valid only for specific points in time. In such contexts, it becomes crucial to correctly identify missing links at a precise time point, i.e. the temporal prediction link task. Recently, Lacroix et al. and Sadeghian et al. proposed a solution to the problem of link prediction for knowledge graphs under temporal constraints inspired by the canonical decomposition of 4-order tensors, where they regularise the representations of time steps by enforcing temporal smoothing, i.e. by learning similar transformation for adjacent timestamps. However, the impact of the choice of temporal regularisation terms is still poorly understood. In this work, we systematically analyse several choices of temporal smoothing regularisers using linear functions and recurrent architectures. In our experiments, we show that by carefully selecting the temporal smoothing regulariser and regularisation weight, a simple method like TNTComplEx can produce significantly more accurate results than state-of-the-art methods on three widely used temporal link prediction datasets. Furthermore, we evaluate the impact of a wide range of temporal smoothing regularisers on two state-of-the-art temporal link prediction models. Our work shows that simple tensor factorisation models can produce new state-of-the-art results using newly proposed temporal regularisers, highlighting a promising avenue for future research.

Knowledge graphs (KGs) are inherently incomplete because of incomplete world knowledge and bias in what is the input to the KG. Additionally, world knowledge constantly expands and evolves, making existing facts deprecated or introducing new ones. However, we would still want to be able to answer queries as if the graph were complete. In this chapter, we will give an overview of several methods which have been proposed to answer queries in such a setting. We will first provide an overview of the different query types which can be supported by these methods and datasets typically used for evaluation, as well as an insight into their limitations. Then, we give an overview of the different approaches and describe them in terms of expressiveness, supported graph types, and inference capabilities., Comment: Preprint of Ch. 17 "Approximate Answering of Graph Queries" in "Compendium of Neurosymbolic Artificial Intelligence", https://ebooks.iospress.nl/ISBN/978-1-64368-406-2

The computation necessary for training Transformer-based language models has skyrocketed in recent years. This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop, RHO loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain., Comment: NeurIPS 2023

Adapting pretrained language models to novel domains, such as clinical applications, traditionally involves retraining their entire set of parameters. Parameter-Efficient Fine-Tuning (PEFT) techniques for fine-tuning language models significantly reduce computational requirements by selectively fine-tuning small subsets of parameters. In this study, we propose a two-step PEFT framework and evaluate it in the clinical domain. Our approach combines a specialised PEFT adapter layer designed for clinical domain adaptation with another adapter specialised for downstream tasks. We evaluate the framework on multiple clinical outcome prediction datasets, comparing it to clinically trained language models. Our framework achieves a better AUROC score averaged across all clinical downstream tasks compared to clinical language models. In particular, we observe large improvements of 4-5% AUROC in large-scale multilabel classification tasks, such as diagnoses and procedures classification. To our knowledge, this study is the first to provide an extensive empirical analysis of the interplay between PEFT techniques and domain adaptation in an important real-world domain of clinical applications.

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates the limited efficacy of these embedding algorithms when applied to biomedical knowledge graphs, raising the question of whether knowledge graph embeddings have limitations in biomedical settings. This study aims to apply state-of-the-art knowledge graph embedding models in the context of a recent biomedical knowledge graph, BioKG, and evaluate their performance and potential downstream uses. We achieve a three-fold improvement in terms of performance based on the HITS@10 score over previous work on the same biomedical knowledge graph. Additionally, we provide interpretable predictions through a rule-based method. We demonstrate that knowledge graph embedding models are applicable in practice by evaluating the best-performing model on four tasks that represent real-life polypharmacy situations. Results suggest that knowledge learnt from large biomedical knowledge graphs can be transferred to such downstream use cases. Our code is available at https://github.com/aryopg/biokge.

Answering complex queries on incomplete knowledge graphs is a challenging task where a model needs to answer complex logical queries in the presence of missing knowledge. Prior work in the literature has proposed to address this problem by designing architectures trained end-to-end for the complex query answering task with a reasoning process that is hard to interpret while requiring data and resource-intensive training. Other lines of research have proposed re-using simple neural link predictors to answer complex queries, reducing the amount of training data by orders of magnitude while providing interpretable answers. The neural link predictor used in such approaches is not explicitly optimised for the complex query answering task, implying that its scores are not calibrated to interact together. We propose to address these problems via CQD$^{\mathcal{A}}$, a parameter-efficient score \emph{adaptation} model optimised to re-calibrate neural link prediction scores for the complex query answering task. While the neural link predictor is frozen, the adaptation component -- which only increases the number of model parameters by $0.03\%$ -- is trained on the downstream complex query answering task. Furthermore, the calibration component enables us to support reasoning over queries that include atomic negations, which was previously impossible with link predictors. In our experiments, CQD$^{\mathcal{A}}$ produces significantly more accurate results than current state-of-the-art methods, improving from $34.4$ to $35.1$ Mean Reciprocal Rank values averaged across all datasets and query types while using $\leq 30\%$ of the available training query types. We further show that CQD$^{\mathcal{A}}$ is data-efficient, achieving competitive results with only $1\%$ of the training complex queries, and robust in out-of-domain evaluations.

Background: Stratifying cancer patients according to risk of relapse can personalize their care. In this work, we provide an answer to the following research question: How to utilize machine learning to estimate probability of relapse in early-stage non-small-cell lung cancer patients? Methods: For predicting relapse in 1,387 early-stage (I-II), non-small-cell lung cancer (NSCLC) patients from the Spanish Lung Cancer Group data (65.7 average age, 24.8% females, 75.2% males) we train tabular and graph machine learning models. We generate automatic explanations for the predictions of such models. For models trained on tabular data, we adopt SHAP local explanations to gauge how each patient feature contributes to the predicted outcome. We explain graph machine learning predictions with an example-based method that highlights influential past patients. Results: Machine learning models trained on tabular data exhibit a 76% accuracy for the Random Forest model at predicting relapse evaluated with a 10-fold cross-validation (model was trained 10 times with different independent sets of patients in test, train and validation sets, the reported metrics are averaged over these 10 test sets). Graph machine learning reaches 68% accuracy over a 200-patient, held-out test set, calibrated on a held-out set of 100 patients. Conclusions: Our results show that machine learning models trained on tabular and graph data can enable objective, personalised and reproducible prediction of relapse and therefore, disease outcome in patients with early-stage NSCLC. With further prospective and multisite validation, and additional radiological and molecular data, this prognostic model could potentially serve as a predictive decision support tool for deciding the use of adjuvant treatments in early-stage lung cancer. Keywords: Non-Small-Cell Lung Cancer, Tumor Recurrence Prediction, Machine Learning

Access to external knowledge is essential for many natural language processing tasks, such as question answering and dialogue. Existing methods often rely on a parametric model that stores knowledge in its parameters, or use a retrieval-augmented model that has access to an external knowledge source. Parametric and retrieval-augmented models have complementary strengths in terms of computational efficiency and predictive accuracy. To combine the strength of both approaches, we propose the Efficient Memory-Augmented Transformer (EMAT) -- it encodes external knowledge into a key-value memory and exploits the fast maximum inner product search for memory querying. We also introduce pre-training tasks that allow EMAT to encode informative key-value representations, and to learn an implicit strategy to integrate multiple memory slots into the transformer. Experiments on various knowledge-intensive tasks such as question answering and dialogue datasets show that, simply augmenting parametric models (T5-base) using our method produces more accurate results (e.g., 25.8 -> 44.3 EM on NQ) while retaining a high throughput (e.g., 1000 queries/s on NQ). Compared to retrieval-augmented models, EMAT runs substantially faster across the board and produces more accurate results on WoW and ELI5. Our code and datasets are available at https://github. com/uclnlp/EMAT., Comment: EMNLP 2022 main conference long paper. 8 pages, 6 figures

Recently continuous relaxations have been proposed in order to learn Directed Acyclic Graphs (DAGs) from data by backpropagation, instead of using combinatorial optimization. However, a number of techniques for fully discrete backpropagation could instead be applied. In this paper, we explore that direction and propose DAG-DB, a framework for learning DAGs by Discrete Backpropagation. Based on the architecture of Implicit Maximum Likelihood Estimation [I-MLE, arXiv:2106.01798], DAG-DB adopts a probabilistic approach to the problem, sampling binary adjacency matrices from an implicit probability distribution. DAG-DB learns a parameter for the distribution from the loss incurred by each sample, performing competitively using either of two fully discrete backpropagation techniques, namely I-MLE and Straight-Through Estimation., Comment: 15 pages, 2 figures, 7 tables. Accepted for NeurIPS 2022 workshops on: Causal Machine Learning for Real-World Impact; and Neuro Causal and Symbolic AI

The integration of discrete algorithmic components in deep learning architectures has numerous applications. Recently, Implicit Maximum Likelihood Estimation (IMLE, Niepert, Minervini, and Franceschi 2021), a class of gradient estimators for discrete exponential family distributions, was proposed by combining implicit differentiation through perturbation with the path-wise gradient estimator. However, due to the finite difference approximation of the gradients, it is especially sensitive to the choice of the finite difference step size, which needs to be specified by the user. In this work, we present Adaptive IMLE (AIMLE), the first adaptive gradient estimator for complex discrete distributions: it adaptively identifies the target distribution for IMLE by trading off the density of gradient information with the degree of bias in the gradient estimates. We empirically evaluate our estimator on synthetic examples, as well as on Learning to Explain, Discrete Variational Auto-Encoders, and Neural Relational Inference tasks. In our experiments, we show that our adaptive gradient estimator can produce faithful estimates while requiring orders of magnitude fewer samples than other gradient estimators., Comment: Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence (AAAI 2023)

Factorisation-based Models (FMs), such as DistMult, have enjoyed enduring success for Knowledge Graph Completion (KGC) tasks, often outperforming Graph Neural Networks (GNNs). However, unlike GNNs, FMs struggle to incorporate node features and generalise to unseen nodes in inductive settings. Our work bridges the gap between FMs and GNNs by proposing ReFactor GNNs. This new architecture draws upon both modelling paradigms, which previously were largely thought of as disjoint. Concretely, using a message-passing formalism, we show how FMs can be cast as GNNs by reformulating the gradient descent procedure as message-passing operations, which forms the basis of our ReFactor GNNs. Across a multitude of well-established KGC benchmarks, our ReFactor GNNs achieve comparable transductive performance to FMs, and state-of-the-art inductive performance while using an order of magnitude fewer parameters., Comment: 36th Conference on Neural Information Processing Systems (NeurIPS 2022)

Current Natural Language Inference (NLI) models achieve impressive results, sometimes outperforming humans when evaluating on in-distribution test sets. However, as these models are known to learn from annotation artefacts and dataset biases, it is unclear to what extent the models are learning the task of NLI instead of learning from shallow heuristics in their training data. We address this issue by introducing a logical reasoning framework for NLI, creating highly transparent model decisions that are based on logical rules. Unlike prior work, we show that improved interpretability can be achieved without decreasing the predictive accuracy. We almost fully retain performance on SNLI, while also identifying the exact hypothesis spans that are responsible for each model prediction. Using the e-SNLI human explanations, we verify that our model makes sensible decisions at a span level, despite not using any span labels during training. We can further improve model performance and span-level decisions by using the e-SNLI explanations during training. Finally, our model is more robust in a reduced data setting. When training with only 1,000 examples, out-of-distribution performance improves on the MNLI matched and mismatched validation sets by 13% and 16% relative to the baseline. Training with fewer observations yields further improvements, both in-distribution and out-of-distribution., Comment: Accepted at EMNLP 2022

Relation extraction in the biomedical domain is challenging due to the lack of labeled data and high annotation costs, needing domain experts. Distant supervision is commonly used to tackle the scarcity of annotated data by automatically pairing knowledge graph relationships with raw texts. Such a pipeline is prone to noise and has added challenges to scale for covering a large number of biomedical concepts. We investigated existing broad-coverage distantly supervised biomedical relation extraction benchmarks and found a significant overlap between training and test relationships ranging from 26% to 86%. Furthermore, we noticed several inconsistencies in the data construction process of these benchmarks, and where there is no train-test leakage, the focus is on interactions between narrower entity types. This work presents a more accurate benchmark MedDistant19 for broad-coverage distantly supervised biomedical relation extraction that addresses these shortcomings and is obtained by aligning the MEDLINE abstracts with the widely used SNOMED Clinical Terms knowledge base. Lacking thorough evaluation with domain-specific language models, we also conduct experiments validating general domain relation extraction findings to biomedical relation extraction., Comment: Accepted by COLING 2022 (Oral presentation, Main Conference: Long Papers)

Contemporary neural networks have achieved a series of developments and successes in many aspects; however, when exposed to data outside the training distribution, they may fail to predict correct answers. In this work, we were concerned about this generalisation issue and thus analysed a broad set of models systematically and robustly over long stories. Related experiments were conducted based on the CLUTRR, which is a diagnostic benchmark suite that can analyse generalisation of natural language understanding (NLU) systems by training over small story graphs and testing on larger ones. In order to handle the multi-relational story graph, we consider two classes of neural models: "E-GNN", the graph-based models that can process graph-structured data and consider the edge attributes simultaneously; and "L-Graph", the sequence-based models which can process linearized version of the graphs. We performed an extensive empirical evaluation, and we found that the modified recurrent neural network yield surprisingly accurate results across every systematic generalisation tasks which outperform the modified graph neural network, while the latter produced more robust models.

We present NNMFAug, a probabilistic framework to perform data augmentation for the task of knowledge graph completion to counter the problem of data scarcity, which can enhance the learning process of neural link predictors. Our method can generate potentially diverse triples with the advantage of being efficient and scalable as well as agnostic to the choice of the link prediction model and dataset used. Experiments and analysis done on popular models and benchmarks show that NNMFAug can bring notable improvements over the baselines.

Current methods for embedding-based query answering over incomplete Knowledge Graphs (KGs) only focus on inductive reasoning, i.e., predicting answers by learning patterns from the data, and lack the complementary ability to do deductive reasoning, which requires the application of domain knowledge to infer further information. To address this shortcoming, we investigate the problem of incorporating ontologies into embedding-based query answering models by defining the task of embedding-based ontology-mediated query answering. We propose various integration strategies into prominent representatives of embedding models that involve (1) different ontology-driven data augmentation techniques and (2) adaptation of the loss function to enforce the ontology axioms. We design novel benchmarks for the considered task based on the LUBM and the NELL KGs and evaluate our methods on them. The achieved improvements in the setting that requires both inductive and deductive reasoning are from 20% to 55% in HITS@3.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations., Comment: NeurIPS 2021 camera-ready; repo: https://github.com/nec-research/tf-imle

Open-domain Question Answering models which directly leverage question-answer (QA) pairs, such as closed-book QA (CBQA) models and QA-pair retrievers, show promise in terms of speed and memory compared to conventional models which retrieve and read from text corpora. QA-pair retrievers also offer interpretable answers, a high degree of control, and are trivial to update at test time with new knowledge. However, these models lack the accuracy of retrieve-and-read systems, as substantially less knowledge is covered by the available QA-pairs relative to text corpora like Wikipedia. To facilitate improved QA-pair models, we introduce Probably Asked Questions (PAQ), a very large resource of 65M automatically-generated QA-pairs. We introduce a new QA-pair retriever, RePAQ, to complement PAQ. We find that PAQ preempts and caches test questions, enabling RePAQ to match the accuracy of recent retrieve-and-read models, whilst being significantly faster. Using PAQ, we train CBQA models which outperform comparable baselines by 5%, but trail RePAQ by over 15%, indicating the effectiveness of explicit retrieval. RePAQ can be configured for size (under 500MB) or speed (over 1K questions per second) whilst retaining high accuracy. Lastly, we demonstrate RePAQ's strength at selective QA, abstaining from answering when it is likely to be incorrect. This enables RePAQ to ``back-off" to a more expensive state-of-the-art model, leading to a combined system which is both more accurate and 2x faster than the state-of-the-art model alone.

Although reinforcement learning has been successfully applied in many domains in recent years, we still lack agents that can systematically generalize. While relational inductive biases that fit a task can improve generalization of RL agents, these biases are commonly hard-coded directly in the agent's neural architecture. In this work, we show that we can incorporate relational inductive biases, encoded in the form of relational graphs, into agents. Based on this insight, we propose Grid-to-Graph (GTG), a mapping from grid structures to relational graphs that carry useful spatial relational inductive biases when processed through a Relational Graph Convolution Network (R-GCN). We show that, with GTG, R-GCNs generalize better both in terms of in-distribution and out-of-distribution compared to baselines based on Convolutional Neural Networks and Neural Logic Machines on challenging procedurally generated environments and MinAtar. Furthermore, we show that GTG produces agents that can jointly reason over observations and environment dynamics encoded in knowledge bases., Comment: Accepted by AAMAS 2021

This paper proposes two intuitive metrics, skew and stereotype, that quantify and analyse the gender bias present in contextual language models when tackling the WinoBias pronoun resolution task. We find evidence that gender stereotype correlates approximately negatively with gender skew in out-of-the-box models, suggesting that there is a trade-off between these two forms of bias. We investigate two methods to mitigate bias. The first approach is an online method which is effective at removing skew at the expense of stereotype. The second, inspired by previous work on ELMo, involves the fine-tuning of BERT using an augmented gender-balanced dataset. We show that this reduces both skew and stereotype relative to its unaugmented fine-tuned counterpart. However, we find that existing gender bias benchmarks do not fully probe professional bias as pronoun resolution may be obfuscated by cross-correlations from other manifestations of gender prejudice. Our code is available online, at https://github.com/12kleingordon34/NLP_masters_project., Comment: Proceedings of the 16th Conference of the European Chapter of the Association for Computational Linguistics (EACL 2021)

Most approaches to Open-Domain Question Answering consist of a light-weight retriever that selects a set of candidate passages, and a computationally expensive reader that examines the passages to identify the correct answer. Previous works have shown that as the number of retrieved passages increases, so does the performance of the reader. However, they assume all retrieved passages are of equal importance and allocate the same amount of computation to them, leading to a substantial increase in computational cost. To reduce this cost, we propose the use of adaptive computation to control the computational budget allocated for the passages to be read. We first introduce a technique operating on individual passages in isolation which relies on anytime prediction and a per-layer estimation of an early exit probability. We then introduce SkylineBuilder, an approach for dynamically deciding on which passage to allocate computation at each step, based on a resource allocation policy trained via reinforcement learning. Our results on SQuAD-Open show that adaptive computation with global prioritisation improves over several strong static and adaptive methods, leading to a 4.3x reduction in computation while retaining 95% performance of the full model., Comment: 11 pages, 9 figures, presented in EMNLP 2020 main conference and SustaiNLP 2020 workshop

Neural link predictors are immensely useful for identifying missing edges in large scale Knowledge Graphs. However, it is still not clear how to use these models for answering more complex queries that arise in a number of domains, such as queries using logical conjunctions ($\land$), disjunctions ($\lor$) and existential quantifiers ($\exists$), while accounting for missing edges. In this work, we propose a framework for efficiently answering complex queries on incomplete Knowledge Graphs. We translate each query into an end-to-end differentiable objective, where the truth value of each atom is computed by a pre-trained neural link predictor. We then analyse two solutions to the optimisation problem, including gradient-based and combinatorial search. In our experiments, the proposed approach produces more accurate results than state-of-the-art methods -- black-box neural models trained on millions of generated queries -- without the need of training on a large and diverse set of complex queries. Using orders of magnitude less training data, we obtain relative improvements ranging from 8% up to 40% in Hits@3 across different knowledge graphs containing factual information. Finally, we demonstrate that it is possible to explain the outcome of our model in terms of the intermediate solutions identified for each of the complex query atoms. All our source code and datasets are available online, at https://github.com/uclnlp/cqd., Comment: Proceedings of the Ninth International Conference on Learning Representations (ICLR 2021, oral presentation)

The ability to quickly solve a wide range of real-world tasks requires a commonsense understanding of the world. Yet, how to best extract such knowledge from natural language corpora and integrate it with reinforcement learning (RL) agents remains an open challenge. This is partly due to the lack of lightweight simulation environments that sufficiently reflect the semantics of the real world and provide knowledge sources grounded with respect to observations in an RL environment. To better enable research on agents making use of commonsense knowledge, we propose WordCraft, an RL environment based on Little Alchemy 2. This lightweight environment is fast to run and built upon entities and relations inspired by real-world semantics. We evaluate several representation learning methods on this new benchmark and propose a new method for integrating knowledge graphs with an RL agent.

Attempts to render deep learning models interpretable, data-efficient, and robust have seen some success through hybridisation with rule-based systems, for example, in Neural Theorem Provers (NTPs). These neuro-symbolic models can induce interpretable rules and learn representations from data via back-propagation, while providing logical explanations for their predictions. However, they are restricted by their computational complexity, as they need to consider all possible proof paths for explaining a goal, thus rendering them unfit for large-scale applications. We present Conditional Theorem Provers (CTPs), an extension to NTPs that learns an optimal rule selection strategy via gradient-based optimisation. We show that CTPs are scalable and yield state-of-the-art results on the CLUTRR dataset, which tests systematic generalisation of neural models by learning to reason over smaller graphs and evaluating on larger ones. Finally, CTPs show better link prediction results on standard benchmarks in comparison with other neural-symbolic models, while being explainable. All source code and datasets are available online, at https://github.com/uclnlp/ctp., Comment: Proceedings of the 37th International Conference on Machine Learning (ICML 2020)

Natural Language Inference (NLI) datasets contain annotation artefacts resulting in spurious correlations between the natural language utterances and their respective entailment classes. These artefacts are exploited by neural networks even when only considering the hypothesis and ignoring the premise, leading to unwanted biases. Belinkov et al. (2019b) proposed tackling this problem via adversarial training, but this can lead to learned sentence representations that still suffer from the same biases. We show that the bias can be reduced in the sentence representations by using an ensemble of adversaries, encouraging the model to jointly decrease the accuracy of these different adversaries while fitting the data. This approach produces more robust NLI models, outperforming previous de-biasing efforts when generalised to 12 other datasets (Belinkov et al., 2019a; Mahabadi et al., 2020). In addition, we find that the optimal number of adversarial classifiers depends on the dimensionality of the sentence representations, with larger sentence representations being more difficult to de-bias while benefiting from using a greater number of adversaries., Comment: Accepted at EMNLP 2020

Current reading comprehension models generalise well to in-distribution test sets, yet perform poorly on adversarially selected inputs. Most prior work on adversarial inputs studies oversensitivity: semantically invariant text perturbations that cause a model's prediction to change when it should not. In this work we focus on the complementary problem: excessive prediction undersensitivity, where input text is meaningfully changed but the model's prediction does not, even though it should. We formulate a noisy adversarial attack which searches among semantic variations of the question for which a model erroneously predicts the same answer, and with even higher probability. Despite comprising unanswerable questions, both SQuAD2.0 and NewsQA models are vulnerable to this attack. This indicates that although accurate, models tend to rely on spurious patterns and do not fully consider the information specified in a question. We experiment with data augmentation and adversarial training as defences, and find that both substantially decrease vulnerability to attacks on held out data, as well as held out attack spaces. Addressing undersensitivity also improves results on AddSent and AddOneSent, and models furthermore generalise better when facing train/evaluation distribution mismatch: they are less prone to overly rely on predictive cues present only in the training set, and outperform a conventional model by as much as 10.9% F1., Comment: 15 pages, 4 figures

Reasoning with knowledge expressed in natural language and Knowledge Bases (KBs) is a major challenge for Artificial Intelligence, with applications in machine reading, dialogue, and question answering. General neural architectures that jointly learn representations and transformations of text are very data-inefficient, and it is hard to analyse their reasoning process. These issues are addressed by end-to-end differentiable reasoning systems such as Neural Theorem Provers (NTPs), although they can only be used with small-scale symbolic KBs. In this paper we first propose Greedy NTPs (GNTPs), an extension to NTPs addressing their complexity and scalability limitations, thus making them applicable to real-world datasets. This result is achieved by dynamically constructing the computation graph of NTPs and including only the most promising proof paths during inference, thus obtaining orders of magnitude more efficient models. Then, we propose a novel approach for jointly reasoning over KBs and textual mentions, by embedding logic facts and natural language sentences in a shared embedding space. We show that GNTPs perform on par with NTPs at a fraction of their cost while achieving competitive link prediction results on large datasets, providing explanations for predictions, and inducing interpretable models. Source code, datasets, and supplementary material are available online at https://github.com/uclnlp/gntp., Comment: Accepted at the 34th AAAI Conference on Artificial Intelligence (AAAI-20)

Recent advances in Neural Variational Inference allowed for a renaissance in latent variable models in a variety of domains involving high-dimensional data. While traditional variational methods derive an analytical approximation for the intractable distribution over the latent variables, here we construct an inference network conditioned on the symbolic representation of entities and relation types in the Knowledge Graph, to provide the variational distributions. The new framework results in a highly-scalable method. Under a Bernoulli sampling framework, we provide an alternative justification for commonly used techniques in large-scale stochastic variational inference, which drastically reduce training time at a cost of an additional approximation to the variational lower bound. We introduce two models from this highly scalable probabilistic framework, namely the Latent Information and Latent Fact models, for reasoning over knowledge graph-based representations. Our Latent Information and Latent Fact models improve upon baseline performance under certain conditions. We use the learnt embedding variance to estimate predictive uncertainty during link prediction, and discuss the quality of these learnt uncertainty estimates. Our source code and datasets are publicly available online at https://github.com/alexanderimanicowenrivers/Neural-Variational-Knowledge-Graphs., Comment: Accepted at IJCAI 19 Neural-Symbolic Learning and Reasoning Workshop

Neural link predictors learn distributed representations of entities and relations in a knowledge graph. They are remarkably powerful in the link prediction and knowledge base completion tasks, mainly due to the learned representations that capture important statistical dependencies in the data. Recent works in the area have focused on either designing new scoring functions or incorporating extra information into the learning process to improve the representations. Yet the representations are mostly learned from the observed links between entities, ignoring commonsense or schema knowledge associated with the relations in the graph. A fundamental aspect of the topology of relational data is the cardinality information, which bounds the number of predictions given for a relation between a minimum and maximum frequency. In this paper, we propose a new regularisation approach to incorporate relation cardinality constraints to any existing neural link predictor without affecting their efficiency or scalability. Our regularisation term aims to impose boundaries on the number of predictions with high probability, thus, structuring the embeddings space to respect commonsense cardinality assumptions resulting in better representations. Experimental results on Freebase, WordNet and YAGO show that, given suitable prior knowledge, the proposed method positively impacts the predictive accuracy of downstream link prediction tasks., Comment: 8 pages, accepted at the 34th ACM/SIGAPP Symposium on Applied Computing (SAC '19)

Adversarial examples are inputs to machine learning models designed to cause the model to make a mistake. They are useful for understanding the shortcomings of machine learning models, interpreting their results, and for regularisation. In NLP, however, most example generation strategies produce input text by using known, pre-specified semantic transformations, requiring significant manual effort and in-depth understanding of the problem and domain. In this paper, we investigate the problem of automatically generating adversarial examples that violate a set of given First-Order Logic constraints in Natural Language Inference (NLI). We reduce the problem of identifying such adversarial examples to a combinatorial optimisation problem, by maximising a quantity measuring the degree of violation of such constraints and by using a language model for generating linguistically-plausible examples. Furthermore, we propose a method for adversarially regularising neural NLI models for incorporating background knowledge. Our results show that, while the proposed method does not always improve results on the SNLI and MultiNLI datasets, it significantly and consistently increases the predictive accuracy on adversarially-crafted datasets -- up to a 79.6% relative improvement -- while drastically reducing the number of background knowledge violations. Furthermore, we show that adversarial examples transfer among model architectures, and that the proposed adversarial training procedure improves the robustness of NLI models to adversarial examples., Comment: Accepted at the SIGNLL Conference on Computational Natural Language Learning (CoNLL 2018)

Many Machine Reading and Natural Language Understanding tasks require reading supporting text in order to answer questions. For example, in Question Answering, the supporting text can be newswire or Wikipedia articles; in Natural Language Inference, premises can be seen as the supporting text and hypotheses as questions. Providing a set of useful primitives operating in a single framework of related tasks would allow for expressive modelling, and easier model comparison and replication. To that end, we present Jack the Reader (Jack), a framework for Machine Reading that allows for quick model prototyping by component reuse, evaluation of new models on existing datasets as well as integrating new datasets and applying them on a growing set of implemented baseline models. Jack is currently supporting (but not limited to) three tasks: Question Answering, Natural Language Inference, and Link Prediction. It is developed with the aim of increasing research efficiency and code reuse., Comment: Proceedings of the Annual Meeting of the Association for Computational Linguistics (ACL 2018), System Demonstrations

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across most datasets., Comment: Extended AAAI2018 paper