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Zied Bouraoui

Publications and source records attributed to Zied Bouraoui.

At least 37 records · Page 2Linked to original sources
arXiv2023

Vector Field Oriented Diffusion Model for Crystal Material Generation

Discovering crystal structures with specific chemical properties has become an increasingly important focus in material science. However, current models are limited in their ability to generate new crystal lattices, as they only consider atomic positions or chemical composition. To address this issue, we propose a probabilistic diffusion model that utilizes a geometrically equivariant GNN to consider atomic positions and crystal lattices jointly. To evaluate the effectiveness of our model, we introduce a new generation metric inspired by Frechet Inception Distance, but based on GNN energy prediction rather than InceptionV3 used in computer vision. In addition to commonly used metrics like validity, which assesses the plausibility of a structure, this new metric offers a more comprehensive evaluation of our model's capabilities. Our experiments on existing benchmarks show the significance of our diffusion model. We also show that our method can effectively learn meaningful representations.

cond-mat.mtrl-sci↗
arXiv2023

What do Deck Chairs and Sun Hats Have in Common? Uncovering Shared Properties in Large Concept Vocabularies

Concepts play a central role in many applications. This includes settings where concepts have to be modelled in the absence of sentence context. Previous work has therefore focused on distilling decontextualised concept embeddings from language models. But concepts can be modelled from different perspectives, whereas concept embeddings typically mostly capture taxonomic structure. To address this issue, we propose a strategy for identifying what different concepts, from a potentially large concept vocabulary, have in common with others. We then represent concepts in terms of the properties they share with the other concepts. To demonstrate the practical usefulness of this way of modelling concepts, we consider the task of ultra-fine entity typing, which is a challenging multi-label classification problem. We show that by augmenting the label set with shared properties, we can improve the performance of the state-of-the-art models for this task.

cs.CL↗
arXiv2023

Unified Model for Crystalline Material Generation

One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materials has received increasing attention, however, it remains unclear to what extent, or in what way, we can develop generative models that consider both the periodicity and equivalence geometric of crystal structures. To alleviate this issue, we propose two unified models that act at the same time on crystal lattice and atomic positions using periodic equivariant architectures. Our models are capable to learn any arbitrary crystal lattice deformation by lowering the total energy to reach thermodynamic stability. Code and data are available at https://github.com/aklipf/GemsNet.

cond-mat.mtrl-sci↗
arXiv2023

Optimized Crystallographic Graph Generation for Material Science

Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating graph-based representation from geometrical information for neural networks is not a trivial task. The periodicity of crystalline needs efficient implementations to be processed in real-time under a massively parallel environment. With the aim of training graph-based generative models of new material discovery, we propose an efficient tool to generate cutoff graphs and k-nearest-neighbours graphs of periodic structures within GPU optimization. We provide pyMatGraph a Pytorch-compatible framework to generate graphs in real-time during the training of neural network architecture. Our tool can update a graph of a structure, making generative models able to update the geometry and process the updated graph during the forward propagation on the GPU side. Our code is publicly available at https://github.com/aklipf/mat-graph.

cond-mat.mtrl-sci↗
arXiv2023

Ultra-Fine Entity Typing with Prior Knowledge about Labels: A Simple Clustering Based Strategy

Ultra-fine entity typing (UFET) is the task of inferring the semantic types, from a large set of fine-grained candidates, that apply to a given entity mention. This task is especially challenging because we only have a small number of training examples for many of the types, even with distant supervision strategies. State-of-the-art models, therefore, have to rely on prior knowledge about the type labels in some way. In this paper, we show that the performance of existing methods can be improved using a simple technique: we use pre-trained label embeddings to cluster the labels into semantic domains and then treat these domains as additional types. We show that this strategy consistently leads to improved results, as long as high-quality label embeddings are used. We furthermore use the label clusters as part of a simple post-processing technique, which results in further performance gains. Both strategies treat the UFET model as a black box and can thus straightforwardly be used to improve a wide range of existing models.

cs.CL↗
arXiv2023

Distilling Semantic Concept Embeddings from Contrastively Fine-Tuned Language Models

Learning vectors that capture the meaning of concepts remains a fundamental challenge. Somewhat surprisingly, perhaps, pre-trained language models have thus far only enabled modest improvements to the quality of such concept embeddings. Current strategies for using language models typically represent a concept by averaging the contextualised representations of its mentions in some corpus. This is potentially sub-optimal for at least two reasons. First, contextualised word vectors have an unusual geometry, which hampers downstream tasks. Second, concept embeddings should capture the semantic properties of concepts, whereas contextualised word vectors are also affected by other factors. To address these issues, we propose two contrastive learning strategies, based on the view that whenever two sentences reveal similar properties, the corresponding contextualised vectors should also be similar. One strategy is fully unsupervised, estimating the properties which are expressed in a sentence from the neighbourhood structure of the contextualised word embeddings. The second strategy instead relies on a distant supervision signal from ConceptNet. Our experimental results show that the resulting vectors substantially outperform existing concept embeddings in predicting the semantic properties of concepts, with the ConceptNet-based strategy achieving the best results. These findings are furthermore confirmed in a clustering task and in the downstream task of ontology completion.

cs.CL↗
arXiv2023

Equivariant Message Passing Neural Network for Crystal Material Discovery

Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive success on supervised tasks such as property prediction, the progress on unsupervised tasks such as material generation is still hampered by the limited extent to which the equivalent geometric representations of the same crystal are considered. To address this challenge, we propose EMPNN a periodic equivariant message-passing neural network that learns crystal lattice deformation in an unsupervised fashion. Our model equivalently acts on lattice according to the deformation action that must be performed, making it suitable for crystal generation, relaxation and optimisation. We present experimental evaluations that demonstrate the effectiveness of our approach.

cs.LG↗
arXiv2022

Region-Based Merging of Open-Domain Terminological Knowledge

This paper introduces a novel method for merging open-domain terminological knowledge. It takes advantage of the Region Connection Calculus (RCC5), a formalism used to represent regions in a topological space and to reason about their set-theoretic relationships. To this end, we first propose a faithful translation of terminological knowledge provided by several and potentially conflicting sources into region spaces. The merging is then performed on these spaces, and the result is translated back into the underlying language of the input sources. Our approach allows us to benefit from the expressivity and the flexibility of RCC5 while dealing with conflicting knowledge in a principled way.

cs.LO↗
arXiv2021

Inferring Prototypes for Multi-Label Few-Shot Image Classification with Word Vector Guided Attention

Multi-label few-shot image classification (ML-FSIC) is the task of assigning descriptive labels to previously unseen images, based on a small number of training examples. A key feature of the multi-label setting is that images often have multiple labels, which typically refer to different regions of the image. When estimating prototypes, in a metric-based setting, it is thus important to determine which regions are relevant for which labels, but the limited amount of training data makes this highly challenging. As a solution, in this paper we propose to use word embeddings as a form of prior knowledge about the meaning of the labels. In particular, visual prototypes are obtained by aggregating the local feature maps of the support images, using an attention mechanism that relies on the label embeddings. As an important advantage, our model can infer prototypes for unseen labels without the need for fine-tuning any model parameters, which demonstrates its strong generalization abilities. Experiments on COCO and PASCAL VOC furthermore show that our model substantially improves the current state-of-the-art.

cs.CV↗
arXiv2021

Deriving Word Vectors from Contextualized Language Models using Topic-Aware Mention Selection

One of the long-standing challenges in lexical semantics consists in learning representations of words which reflect their semantic properties. The remarkable success of word embeddings for this purpose suggests that high-quality representations can be obtained by summarizing the sentence contexts of word mentions. In this paper, we propose a method for learning word representations that follows this basic strategy, but differs from standard word embeddings in two important ways. First, we take advantage of contextualized language models (CLMs) rather than bags of word vectors to encode contexts. Second, rather than learning a word vector directly, we use a topic model to partition the contexts in which words appear, and then learn different topic-specific vectors for each word. Finally, we use a task-specific supervision signal to make a soft selection of the resulting vectors. We show that this simple strategy leads to high-quality word vectors, which are more predictive of semantic properties than word embeddings and existing CLM-based strategies.

cs.CL↗
arXiv2021

Aligning Visual Prototypes with BERT Embeddings for Few-Shot Learning

Few-shot learning (FSL) is the task of learning to recognize previously unseen categories of images from a small number of training examples. This is a challenging task, as the available examples may not be enough to unambiguously determine which visual features are most characteristic of the considered categories. To alleviate this issue, we propose a method that additionally takes into account the names of the image classes. While the use of class names has already been explored in previous work, our approach differs in two key aspects. First, while previous work has aimed to directly predict visual prototypes from word embeddings, we found that better results can be obtained by treating visual and text-based prototypes separately. Second, we propose a simple strategy for learning class name embeddings using the BERT language model, which we found to substantially outperform the GloVe vectors that were used in previous work. We furthermore propose a strategy for dealing with the high dimensionality of these vectors, inspired by models for aligning cross-lingual word embeddings. We provide experiments on miniImageNet, CUB and tieredImageNet, showing that our approach consistently improves the state-of-the-art in metric-based FSL.

cs.CV↗
arXiv2021

Modelling General Properties of Nouns by Selectively Averaging Contextualised Embeddings

While the success of pre-trained language models has largely eliminated the need for high-quality static word vectors in many NLP applications, such vectors continue to play an important role in tasks where words need to be modelled in the absence of linguistic context. In this paper, we explore how the contextualised embeddings predicted by BERT can be used to produce high-quality word vectors for such domains, in particular related to knowledge base completion, where our focus is on capturing the semantic properties of nouns. We find that a simple strategy of averaging the contextualised embeddings of masked word mentions leads to vectors that outperform the static word vectors learned by BERT, as well as those from standard word embedding models, in property induction tasks. We notice in particular that masking target words is critical to achieve this strong performance, as the resulting vectors focus less on idiosyncratic properties and more on general semantic properties. Inspired by this view, we propose a filtering strategy which is aimed at removing the most idiosyncratic mention vectors, allowing us to obtain further performance gains in property induction.

cs.CL↗
arXiv2021

Few-shot Image Classification with Multi-Facet Prototypes

The aim of few-shot learning (FSL) is to learn how to recognize image categories from a small number of training examples. A central challenge is that the available training examples are normally insufficient to determine which visual features are most characteristic of the considered categories. To address this challenge, we organize these visual features into facets, which intuitively group features of the same kind (e.g. features that are relevant to shape, color, or texture). This is motivated from the assumption that (i) the importance of each facet differs from category to category and (ii) it is possible to predict facet importance from a pre-trained embedding of the category names. In particular, we propose an adaptive similarity measure, relying on predicted facet importance weights for a given set of categories. This measure can be used in combination with a wide array of existing metric-based methods. Experiments on miniImageNet and CUB show that our approach improves the state-of-the-art in metric-based FSL.

cs.CV↗
arXiv2019

From Shallow to Deep Interactions Between Knowledge Representation, Reasoning and Machine Learning (Kay R. Amel group)

This paper proposes a tentative and original survey of meeting points between Knowledge Representation and Reasoning (KRR) and Machine Learning (ML), two areas which have been developing quite separately in the last three decades. Some common concerns are identified and discussed such as the types of used representation, the roles of knowledge and data, the lack or the excess of information, or the need for explanations and causal understanding. Then some methodologies combining reasoning and learning are reviewed (such as inductive logic programming, neuro-symbolic reasoning, formal concept analysis, rule-based representations and ML, uncertainty in ML, or case-based reasoning and analogical reasoning), before discussing examples of synergies between KRR and ML (including topics such as belief functions on regression, EM algorithm versus revision, the semantic description of vector representations, the combination of deep learning with high level inference, knowledge graph completion, declarative frameworks for data mining, or preferences and recommendation). This paper is the first step of a work in progress aiming at a better mutual understanding of research in KRR and ML, and how they could cooperate.

cs.AI↗
arXiv2019

Modelling Semantic Categories using Conceptual Neighborhood

While many methods for learning vector space embeddings have been proposed in the field of Natural Language Processing, these methods typically do not distinguish between categories and individuals. Intuitively, if individuals are represented as vectors, we can think of categories as (soft) regions in the embedding space. Unfortunately, meaningful regions can be difficult to estimate, especially since we often have few examples of individuals that belong to a given category. To address this issue, we rely on the fact that different categories are often highly interdependent. In particular, categories often have conceptual neighbors, which are disjoint from but closely related to the given category (e.g.\ fruit and vegetable). Our hypothesis is that more accurate category representations can be learned by relying on the assumption that the regions representing such conceptual neighbors should be adjacent in the embedding space. We propose a simple method for identifying conceptual neighbors and then show that incorporating these conceptual neighbors indeed leads to more accurate region based representations.

cs.CL↗
arXiv2019

Inducing Relational Knowledge from BERT

One of the most remarkable properties of word embeddings is the fact that they capture certain types of semantic and syntactic relationships. Recently, pre-trained language models such as BERT have achieved groundbreaking results across a wide range of Natural Language Processing tasks. However, it is unclear to what extent such models capture relational knowledge beyond what is already captured by standard word embeddings. To explore this question, we propose a methodology for distilling relational knowledge from a pre-trained language model. Starting from a few seed instances of a given relation, we first use a large text corpus to find sentences that are likely to express this relation. We then use a subset of these extracted sentences as templates. Finally, we fine-tune a language model to predict whether a given word pair is likely to be an instance of some relation, when given an instantiated template for that relation as input.

cs.CL↗
arXiv2018

Learning Conceptual Space Representations of Interrelated Concepts

Several recently proposed methods aim to learn conceptual space representations from large text collections. These learned representations asso- ciate each object from a given domain of interest with a point in a high-dimensional Euclidean space, but they do not model the concepts from this do- main, and can thus not directly be used for catego- rization and related cognitive tasks. A natural solu- tion is to represent concepts as Gaussians, learned from the representations of their instances, but this can only be reliably done if sufficiently many in- stances are given, which is often not the case. In this paper, we introduce a Bayesian model which addresses this problem by constructing informative priors from background knowledge about how the concepts of interest are interrelated with each other. We show that this leads to substantially better pre- dictions in a knowledge base completion task.

cs.AI↗
arXiv2017

Modeling Semantic Relatedness using Global Relation Vectors

Word embedding models such as GloVe rely on co-occurrence statistics from a large corpus to learn vector representations of word meaning. These vectors have proven to capture surprisingly fine-grained semantic and syntactic information. While we may similarly expect that co-occurrence statistics can be used to capture rich information about the relationships between different words, existing approaches for modeling such relationships have mostly relied on manipulating pre-trained word vectors. In this paper, we introduce a novel method which directly learns relation vectors from co-occurrence statistics. To this end, we first introduce a variant of GloVe, in which there is an explicit connection between word vectors and PMI weighted co-occurrence vectors. We then show how relation vectors can be naturally embedded into the resulting vector space.

cs.CL↗