Michalis Vazirgiannis

LG
h-index58
121papers
13,962citations
Novelty45%
AI Score60

121 Papers

LGMay 29
A Kinetic Energy Perspective of Flow Matching

Ziyun Li, Huancheng Hu, Soon Hoe Lim et al.

Flow-based generative models can be viewed through a physics lens: sampling transports a particle from noise to data by integrating a learned velocity field, and each sample corresponds to a trajectory with its own dynamical effort. Motivated by classical mechanics, we introduce Kinetic Path Energy (KPE), an action-like, per-sample diagnostic that measures the accumulated kinetic effort along an ordinary differential equation (ODE) trajectory. Empirically, KPE exhibits two robust correspondences: {i} higher KPE predicts stronger semantic fidelity; {ii} high-KPE trajectories land in sparse representation regions. We further provide theoretical guarantees linking trajectory energy to data sparsity. Paradoxically, this correlation is non-monotonic. At sufficiently high energy, generation can degenerate into memorization. Leveraging the closed-form formula of empirical flow matching, we show that extreme energies drive trajectories toward near-copies of training examples. This yields a Goldilocks principle and motivates Kinetic Trajectory Shaping (KTS), a training-free two-phase inference strategy that boosts early motion and enforces a late-time soft landing, reducing memorization and improving generation quality across benchmark tasks.

CRNov 21, 2023Code
Heuristics for Detecting CoinJoin Transactions on the Bitcoin Blockchain

Hugo Schnoering, Michalis Vazirgiannis

This research delves into the intricacies of Bitcoin, a decentralized peer-to-peer network, and its associated blockchain, which records all transactions since its inception. While this ensures integrity and transparency, the transparent nature of Bitcoin potentially compromises users' privacy rights. To address this concern, users have adopted CoinJoin, a method that amalgamates multiple transaction intents into a single, larger transaction to bolster transactional privacy. This process complicates individual transaction tracing and disrupts many established blockchain analysis heuristics. Despite its significance, limited research has been conducted on identifying CoinJoin transactions. Particularly noteworthy are varied CoinJoin implementations such as JoinMarket, Wasabi, and Whirlpool, each presenting distinct challenges due to their unique transaction structures. This study delves deeply into the open-source implementations of these protocols, aiming to develop refined heuristics for identifying their transactions on the blockchain. Our exhaustive analysis covers transactions up to block 760,000, offering a comprehensive insight into CoinJoin transactions and their implications for Bitcoin blockchain analysis.

LGApr 11, 2022
Graph Ordering Attention Networks

Michail Chatzianastasis, Johannes F. Lutzeyer, George Dasoulas et al. · harvard

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

AIJan 13Code
YaPO: Learnable Sparse Activation Steering Vectors for Domain Adaptation

Abdelaziz Bounhar, Rania Hossam Elmohamady Elbadry, Hadi Abdine et al.

Steering Large Language Models (LLMs) through activation interventions has emerged as a lightweight alternative to fine-tuning for alignment and personalization. Recent work on Bi-directional Preference Optimization (BiPO) shows that dense steering vectors can be learned directly from preference data in a Direct Preference Optimization (DPO) fashion, enabling control over truthfulness, hallucinations, and safety behaviors. However, dense steering vectors often entangle multiple latent factors due to neuron multi-semanticity, limiting their effectiveness and stability in fine-grained settings such as cultural alignment, where closely related values and behaviors (e.g., among Middle Eastern cultures) must be distinguished. In this paper, we propose Yet another Policy Optimization (YaPO), a \textit{reference-free} method that learns \textit{sparse steering vectors} in the latent space of a Sparse Autoencoder (SAE). By optimizing sparse codes, YaPO produces disentangled, interpretable, and efficient steering directions. Empirically, we show that YaPO converges faster, achieves stronger performance, and exhibits improved training stability compared to dense steering baselines. Beyond cultural alignment, YaPO generalizes to a range of alignment-related behaviors, including hallucination, wealth-seeking, jailbreak, and power-seeking. Importantly, YaPO preserves general knowledge, with no measurable degradation on MMLU. Overall, our results show that YaPO provides a general recipe for efficient, stable, and fine-grained alignment of LLMs, with broad applications to controllability and domain adaptation. The associated code and data are publicly available\footnote{https://github.com/MBZUAI-Paris/YaPO}.

LGNov 2, 2025Code
Shorter but not Worse: Frugal Reasoning via Easy Samples as Length Regularizers in Math RLVR

Abdelaziz Bounhar, Hadi Abdine, Evan Dufraisse et al.

Large language models (LLMs) trained for step-by-step reasoning often become excessively verbose, raising inference cost. Standard Reinforcement Learning with Verifiable Rewards (RLVR) pipelines filter out ``easy'' problems for training efficiency, leaving the model to train primarily on harder problems that require longer reasoning chains. This skews the output length distribution upward, resulting in a \textbf{model that conflates ``thinking longer'' with ``thinking better''}. In this work, we show that retaining and modestly up-weighting moderately easy problems acts as an implicit length regularizer. Exposing the model to solvable short-chain tasks constrains its output distribution and prevents runaway verbosity. The result is \textbf{\emph{emergent brevity for free}}: the model learns to solve harder problems without inflating the output length, \textbf{ despite the absence of any explicit length penalization}. RLVR experiments using this approach on \textit{Qwen3-4B-Thinking-2507} (with a 16k token limit) achieve baseline pass@1 AIME25 accuracy while generating solutions that are, on average, nearly twice as short. The code is available at \href{https://github.com/MBZUAI-Paris/Frugal-AI}{GitHub}, with datasets and models on \href{https://huggingface.co/collections/MBZUAI-Paris/k2-think-mini-68dcfa8b114686a4bd3dc2bc}{Hugging Face}.

CLNov 16, 2023
The Curious Decline of Linguistic Diversity: Training Language Models on Synthetic Text

Yanzhu Guo, Guokan Shang, Michalis Vazirgiannis et al.

This study investigates the consequences of training language models on synthetic data generated by their predecessors, an increasingly prevalent practice given the prominence of powerful generative models. Diverging from the usual emphasis on performance metrics, we focus on the impact of this training methodology on linguistic diversity, especially when conducted recursively over time. To assess this, we adapt and develop a set of novel metrics targeting lexical, syntactic, and semantic diversity, applying them in recursive finetuning experiments across various natural language generation tasks in English. Our findings reveal a consistent decrease in the diversity of the model outputs through successive iterations, especially remarkable for tasks demanding high levels of creativity. This trend underscores the potential risks of training language models on synthetic text, particularly concerning the preservation of linguistic richness. Our study highlights the need for careful consideration of the long-term effects of such training approaches on the linguistic capabilities of language models.

LGNov 8, 2022Code
Improving Graph Neural Networks at Scale: Combining Approximate PageRank and CoreRank

Ariel R. Ramos Vela, Johannes F. Lutzeyer, Anastasios Giovanidis et al.

Graph Neural Networks (GNNs) have achieved great successes in many learning tasks performed on graph structures. Nonetheless, to propagate information GNNs rely on a message passing scheme which can become prohibitively expensive when working with industrial-scale graphs. Inspired by the PPRGo model, we propose the CorePPR model, a scalable solution that utilises a learnable convex combination of the approximate personalised PageRank and the CoreRank to diffuse multi-hop neighbourhood information in GNNs. Additionally, we incorporate a dynamic mechanism to select the most influential neighbours for a particular node which reduces training time while preserving the performance of the model. Overall, we demonstrate that CorePPR outperforms PPRGo, particularly on large graphs where selecting the most influential nodes is particularly relevant for scalability. Our code is publicly available at: https://github.com/arielramos97/CorePPR.

CLMar 21, 2022
AraBART: a Pretrained Arabic Sequence-to-Sequence Model for Abstractive Summarization

Moussa Kamal Eddine, Nadi Tomeh, Nizar Habash et al.

Like most natural language understanding and generation tasks, state-of-the-art models for summarization are transformer-based sequence-to-sequence architectures that are pretrained on large corpora. While most existing models focused on English, Arabic remained understudied. In this paper we propose AraBART, the first Arabic model in which the encoder and the decoder are pretrained end-to-end, based on BART. We show that AraBART achieves the best performance on multiple abstractive summarization datasets, outperforming strong baselines including a pretrained Arabic BERT-based model and multilingual mBART and mT5 models.

QMJul 25, 2023
Prot2Text: Multimodal Protein's Function Generation with GNNs and Transformers

Hadi Abdine, Michail Chatzianastasis, Costas Bouyioukos et al.

In recent years, significant progress has been made in the field of protein function prediction with the development of various machine-learning approaches. However, most existing methods formulate the task as a multi-classification problem, i.e. assigning predefined labels to proteins. In this work, we propose a novel approach, Prot2Text, which predicts a protein's function in a free text style, moving beyond the conventional binary or categorical classifications. By combining Graph Neural Networks(GNNs) and Large Language Models(LLMs), in an encoder-decoder framework, our model effectively integrates diverse data types including protein sequence, structure, and textual annotation and description. This multimodal approach allows for a holistic representation of proteins' functions, enabling the generation of detailed and accurate functional descriptions. To evaluate our model, we extracted a multimodal protein dataset from SwissProt, and demonstrate empirically the effectiveness of Prot2Text. These results highlight the transformative impact of multimodal models, specifically the fusion of GNNs and LLMs, empowering researchers with powerful tools for more accurate function prediction of existing as well as first-to-see proteins.

CLJun 1
CARTE: A Benchmark for Mapping Language Model Knowledge Across France

Sarah Almeida Carneiro, Christos Xypolopoulos, Xiao Fei et al.

We introduce CARTE 1 (Culturally Anchored Regional-Territorial Evaluation), a multiplechoice benchmark for evaluating the ability of large language models (LLMs) to perform fine-grained reasoning over geographically grounded and regionally differentiated knowledge within France. While prior benchmarks focus on national-level cultural understanding, they largely overlook intra-country variation and the need to distinguish between closely related regional contexts. CARTE addresses this gap by introducing 2,431 questions spanning the 13 metropolitan regions of France and covering 14 thematic domains, including culture, language, demographics, economy, environment, and mobility. We further introduce CARTE-LV, a subset targeting Linguistic Variation across French regions, enabling focused evaluation of language-related differences. We evaluate 27 LLMs ranging from 1B to 12B parameters under few-shot settings. Our experiments reveal performance disparities across regions and model scales, suggesting systematic gaps in pretraining coverage and limited robustness to intra-national variation.

LGNov 16, 2022
New Frontiers in Graph Autoencoders: Joint Community Detection and Link Prediction

Guillaume Salha-Galvan, Johannes F. Lutzeyer, George Dasoulas et al. · harvard

Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as powerful methods for link prediction (LP). Their performances are less impressive on community detection (CD), where they are often outperformed by simpler alternatives such as the Louvain method. It is still unclear to what extent one can improve CD with GAE and VGAE, especially in the absence of node features. It is moreover uncertain whether one could do so while simultaneously preserving good performances on LP in a multi-task setting. In this workshop paper, summarizing results from our journal publication (Salha-Galvan et al. 2022), we show that jointly addressing these two tasks with high accuracy is possible. For this purpose, we introduce a community-preserving message passing scheme, doping our GAE and VGAE encoders by considering both the initial graph and Louvain-based prior communities when computing embedding spaces. Inspired by modularity-based clustering, we further propose novel training and optimization strategies specifically designed for joint LP and CD. We demonstrate the empirical effectiveness of our approach, referred to as Modularity-Aware GAE and VGAE, on various real-world graphs.

LGJun 9, 2023
Path Neural Networks: Expressive and Accurate Graph Neural Networks

Gaspard Michel, Giannis Nikolentzos, Johannes Lutzeyer et al.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

LGJan 20, 2023
Explainable Multilayer Graph Neural Network for Cancer Gene Prediction

Michail Chatzianastasis, Michalis Vazirgiannis, Zijun Zhang

The identification of cancer genes is a critical yet challenging problem in cancer genomics research. Existing computational methods, including deep graph neural networks, fail to exploit the multilayered gene-gene interactions or provide limited explanation for their predictions. These methods are restricted to a single biological network, which cannot capture the full complexity of tumorigenesis. Models trained on different biological networks often yield different and even opposite cancer gene predictions, hindering their trustworthy adaptation. Here, we introduce an Explainable Multilayer Graph Neural Network (EMGNN) approach to identify cancer genes by leveraging multiple genegene interaction networks and pan-cancer multi-omics data. Unlike conventional graph learning on a single biological network, EMGNN uses a multilayered graph neural network to learn from multiple biological networks for accurate cancer gene prediction. Our method consistently outperforms all existing methods, with an average 7.15% improvement in area under the precision-recall curve (AUPR) over the current state-of-the-art method. Importantly, EMGNN integrated multiple graphs to prioritize newly predicted cancer genes with conflicting predictions from single biological networks. For each prediction, EMGNN provided valuable biological insights via both model-level feature importance explanations and molecular-level gene set enrichment analysis. Overall, EMGNN offers a powerful new paradigm of graph learning through modeling the multilayered topological gene relationships and provides a valuable tool for cancer genomics research.

CLAug 8, 2022
Abstractive Meeting Summarization: A Survey

Virgile Rennard, Guokan Shang, Julie Hunter et al.

A system that could reliably identify and sum up the most important points of a conversation would be valuable in a wide variety of real-world contexts, from business meetings to medical consultations to customer service calls. Recent advances in deep learning, and especially the invention of encoder-decoder architectures, has significantly improved language generation systems, opening the door to improved forms of abstractive summarization, a form of summarization particularly well-suited for multi-party conversation. In this paper, we provide an overview of the challenges raised by the task of abstractive meeting summarization and of the data sets, models and evaluation metrics that have been used to tackle the problems.

CLSep 26, 2024
Atlas-Chat: Adapting Large Language Models for Low-Resource Moroccan Arabic Dialect

Guokan Shang, Hadi Abdine, Yousef Khoubrane et al.

We introduce Atlas-Chat, the first-ever collection of LLMs specifically developed for dialectal Arabic. Focusing on Moroccan Arabic, also known as Darija, we construct our instruction dataset by consolidating existing Darija language resources, creating novel datasets both manually and synthetically, and translating English instructions with stringent quality control. Atlas-Chat-2B, 9B, and 27B models, fine-tuned on the dataset, exhibit superior ability in following Darija instructions and performing standard NLP tasks. Notably, our models outperform both state-of-the-art and Arabic-specialized LLMs like LLaMa, Jais, and AceGPT, e.g., our 9B model gains a 13% performance boost over a larger 13B model on DarijaMMLU, in our newly introduced evaluation suite for Darija covering both discriminative and generative tasks. Furthermore, we perform an experimental analysis of various fine-tuning strategies and base model choices to determine optimal configurations. All our resources are publicly accessible, and we believe our work offers comprehensive design methodologies of instruction-tuning for low-resource languages, which are often neglected in favor of data-rich languages by contemporary LLMs.

CLNov 20, 2023
Automatic Analysis of Substantiation in Scientific Peer Reviews

Yanzhu Guo, Guokan Shang, Virgile Rennard et al.

With the increasing amount of problematic peer reviews in top AI conferences, the community is urgently in need of automatic quality control measures. In this paper, we restrict our attention to substantiation -- one popular quality aspect indicating whether the claims in a review are sufficiently supported by evidence -- and provide a solution automatizing this evaluation process. To achieve this goal, we first formulate the problem as claim-evidence pair extraction in scientific peer reviews, and collect SubstanReview, the first annotated dataset for this task. SubstanReview consists of 550 reviews from NLP conferences annotated by domain experts. On the basis of this dataset, we train an argument mining system to automatically analyze the level of substantiation in peer reviews. We also perform data analysis on the SubstanReview dataset to obtain meaningful insights on peer reviewing quality in NLP conferences over recent years.

IRAug 1, 2023
Adaptive Collaborative Filtering with Personalized Time Decay Functions for Financial Product Recommendation

Ashraf Ghiye, Baptiste Barreau, Laurent Carlier et al.

Classical recommender systems often assume that historical data are stationary and fail to account for the dynamic nature of user preferences, limiting their ability to provide reliable recommendations in time-sensitive settings. This assumption is particularly problematic in finance, where financial products exhibit continuous changes in valuations, leading to frequent shifts in client interests. These evolving interests, summarized in the past client-product interactions, see their utility fade over time with a degree that might differ from one client to another. To address this challenge, we propose a time-dependent collaborative filtering algorithm that can adaptively discount distant client-product interactions using personalized decay functions. Our approach is designed to handle the non-stationarity of financial data and produce reliable recommendations by modeling the dynamic collaborative signals between clients and products. We evaluate our method using a proprietary dataset from BNP Paribas and demonstrate significant improvements over state-of-the-art benchmarks from relevant literature. Our findings emphasize the importance of incorporating time explicitly in the model to enhance the accuracy of financial product recommendation.

LGJul 27, 2023
TimeGNN: Temporal Dynamic Graph Learning for Time Series Forecasting

Nancy Xu, Chrysoula Kosma, Michalis Vazirgiannis

Time series forecasting lies at the core of important real-world applications in many fields of science and engineering. The abundance of large time series datasets that consist of complex patterns and long-term dependencies has led to the development of various neural network architectures. Graph neural network approaches, which jointly learn a graph structure based on the correlation of raw values of multivariate time series while forecasting, have recently seen great success. However, such solutions are often costly to train and difficult to scale. In this paper, we propose TimeGNN, a method that learns dynamic temporal graph representations that can capture the evolution of inter-series patterns along with the correlations of multiple series. TimeGNN achieves inference times 4 to 80 times faster than other state-of-the-art graph-based methods while achieving comparable forecasting performance

CLOct 31, 2022
Questioning the Validity of Summarization Datasets and Improving Their Factual Consistency

Yanzhu Guo, Chloé Clavel, Moussa Kamal Eddine et al.

The topic of summarization evaluation has recently attracted a surge of attention due to the rapid development of abstractive summarization systems. However, the formulation of the task is rather ambiguous, neither the linguistic nor the natural language processing community has succeeded in giving a mutually agreed-upon definition. Due to this lack of well-defined formulation, a large number of popular abstractive summarization datasets are constructed in a manner that neither guarantees validity nor meets one of the most essential criteria of summarization: factual consistency. In this paper, we address this issue by combining state-of-the-art factual consistency models to identify the problematic instances present in popular summarization datasets. We release SummFC, a filtered summarization dataset with improved factual consistency, and demonstrate that models trained on this dataset achieve improved performance in nearly all quality aspects. We argue that our dataset should become a valid benchmark for developing and evaluating summarization systems.

CLApr 3, 2023
GreekBART: The First Pretrained Greek Sequence-to-Sequence Model

Iakovos Evdaimon, Hadi Abdine, Christos Xypolopoulos et al.

The era of transfer learning has revolutionized the fields of Computer Vision and Natural Language Processing, bringing powerful pretrained models with exceptional performance across a variety of tasks. Specifically, Natural Language Processing tasks have been dominated by transformer-based language models. In Natural Language Inference and Natural Language Generation tasks, the BERT model and its variants, as well as the GPT model and its successors, demonstrated exemplary performance. However, the majority of these models are pretrained and assessed primarily for the English language or on a multilingual corpus. In this paper, we introduce GreekBART, the first Seq2Seq model based on BART-base architecture and pretrained on a large-scale Greek corpus. We evaluate and compare GreekBART against BART-random, Greek-BERT, and XLM-R on a variety of discriminative tasks. In addition, we examine its performance on two NLG tasks from GreekSUM, a newly introduced summarization dataset for the Greek language. The model, the code, and the new summarization dataset will be publicly available.

LGAug 17, 2023
Interpretable Graph Neural Networks for Tabular Data

Amr Alkhatib, Sofiane Ennadir, Henrik Boström et al.

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation learning. However, these approaches essentially produce black-box models, in the form of deep neural networks, precluding users from following the logic behind the model predictions. We propose an approach, called IGNNet (Interpretable Graph Neural Network for tabular data), which constrains the learning algorithm to produce an interpretable model, where the model shows how the predictions are exactly computed from the original input features. A large-scale empirical investigation is presented, showing that IGNNet is performing on par with state-of-the-art machine-learning algorithms that target tabular data, including XGBoost, Random Forests, and TabNet. At the same time, the results show that the explanations obtained from IGNNet are aligned with the true Shapley values of the features without incurring any additional computational overhead.

LGNov 4, 2022
Weisfeiler and Leman go Hyperbolic: Learning Distance Preserving Node Representations

Giannis Nikolentzos, Michail Chatzianastasis, Michalis Vazirgiannis

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection between these models and the Weisfeiler-Leman (WL) test of isomorphism, an algorithm that can successfully test isomorphism for a broad class of graphs. Recently, much research has focused on measuring the expressive power of GNNs. For instance, it has been shown that standard MPNNs are at most as powerful as WL in terms of distinguishing non-isomorphic graphs. However, these studies have largely ignored the distances between the representations of nodes/graphs which are of paramount importance for learning tasks. In this paper, we define a distance function between nodes which is based on the hierarchy produced by the WL algorithm, and propose a model that learns representations which preserve those distances between nodes. Since the emerging hierarchy corresponds to a tree, to learn these representations, we capitalize on recent advances in the field of hyperbolic neural networks. We empirically evaluate the proposed model on standard node and graph classification datasets where it achieves competitive performance with state-of-the-art models.

LGSep 26, 2024
Graph Reasoning with Large Language Models via Pseudo-code Prompting

Konstantinos Skianis, Giannis Nikolentzos, Michalis Vazirgiannis

Large language models (LLMs) have recently achieved remarkable success in various reasoning tasks in the field of natural language processing. This success of LLMs has also motivated their use in graph-related tasks. Among others, recent work has explored whether LLMs can solve graph problems such as counting the number of connected components of a graph or computing the shortest path distance between two nodes. Although LLMs possess preliminary graph reasoning abilities, they might still struggle to solve some seemingly simple problems. In this paper, we investigate whether prompting via pseudo-code instructions can improve the performance of LLMs in solving graph problems. Our experiments demonstrate that using pseudo-code instructions generally improves the performance of all considered LLMs. The graphs, pseudo-code prompts, and evaluation code are publicly available.

SIJun 30, 2022
DGraph: A Large-Scale Financial Dataset for Graph Anomaly Detection

Xuanwen Huang, Yang Yang, Yang Wang et al.

Graph Anomaly Detection (GAD) has recently become a hot research spot due to its practicability and theoretical value. Since GAD emphasizes the application and the rarity of anomalous samples, enriching the varieties of its datasets is fundamental work. Thus, this paper present DGraph, a real-world dynamic graph in the finance domain. DGraph overcomes many limitations of current GAD datasets. It contains about 3M nodes, 4M dynamic edges, and 1M ground-truth nodes. We provide a comprehensive observation of DGraph, revealing that anomalous nodes and normal nodes generally have different structures, neighbor distribution, and temporal dynamics. Moreover, it suggests that unlabeled nodes are also essential for detecting fraudsters. Furthermore, we conduct extensive experiments on DGraph. Observation and experiments demonstrate that DGraph is propulsive to advance GAD research and enable in-depth exploration of anomalous nodes.

LGFeb 12, 2023
Neural Architecture Search with Multimodal Fusion Methods for Diagnosing Dementia

Michail Chatzianastasis, Loukas Ilias, Dimitris Askounis et al.

Alzheimer's dementia (AD) affects memory, thinking, and language, deteriorating person's life. An early diagnosis is very important as it enables the person to receive medical help and ensure quality of life. Therefore, leveraging spontaneous speech in conjunction with machine learning methods for recognizing AD patients has emerged into a hot topic. Most of the previous works employ Convolutional Neural Networks (CNNs), to process the input signal. However, finding a CNN architecture is a time-consuming process and requires domain expertise. Moreover, the researchers introduce early and late fusion approaches for fusing different modalities or concatenate the representations of the different modalities during training, thus the inter-modal interactions are not captured. To tackle these limitations, first we exploit a Neural Architecture Search (NAS) method to automatically find a high performing CNN architecture. Next, we exploit several fusion methods, including Multimodal Factorized Bilinear Pooling and Tucker Decomposition, to combine both speech and text modalities. To the best of our knowledge, there is no prior work exploiting a NAS approach and these fusion methods in the task of dementia detection from spontaneous speech. We perform extensive experiments on the ADReSS Challenge dataset and show the effectiveness of our approach over state-of-the-art methods.

LGJul 27, 2022
Time Series Forecasting Models Copy the Past: How to Mitigate

Chrysoula Kosma, Giannis Nikolentzos, Nancy Xu et al.

Time series forecasting is at the core of important application domains posing significant challenges to machine learning algorithms. Recently neural network architectures have been widely applied to the problem of time series forecasting. Most of these models are trained by minimizing a loss function that measures predictions' deviation from the real values. Typical loss functions include mean squared error (MSE) and mean absolute error (MAE). In the presence of noise and uncertainty, neural network models tend to replicate the last observed value of the time series, thus limiting their applicability to real-world data. In this paper, we provide a formal definition of the above problem and we also give some examples of forecasts where the problem is observed. We also propose a regularization term penalizing the replication of previously seen values. We evaluate the proposed regularization term both on synthetic and real-world datasets. Our results indicate that the regularization term mitigates to some extent the aforementioned problem and gives rise to more robust models.

LGAug 6, 2023
Time-Parameterized Convolutional Neural Networks for Irregularly Sampled Time Series

Chrysoula Kosma, Giannis Nikolentzos, Michalis Vazirgiannis

Irregularly sampled multivariate time series are ubiquitous in several application domains, leading to sparse, not fully-observed and non-aligned observations across different variables. Standard sequential neural network architectures, such as recurrent neural networks (RNNs) and convolutional neural networks (CNNs), consider regular spacing between observation times, posing significant challenges to irregular time series modeling. While most of the proposed architectures incorporate RNN variants to handle irregular time intervals, convolutional neural networks have not been adequately studied in the irregular sampling setting. In this paper, we parameterize convolutional layers by employing time-explicitly initialized kernels. Such general functions of time enhance the learning process of continuous-time hidden dynamics and can be efficiently incorporated into convolutional kernel weights. We, thus, propose the time-parameterized convolutional neural network (TPCNN), which shares similar properties with vanilla convolutions but is carefully designed for irregularly sampled time series. We evaluate TPCNN on both interpolation and classification tasks involving real-world irregularly sampled multivariate time series datasets. Our experimental results indicate the competitive performance of the proposed TPCNN model which is also significantly more efficient than other state-of-the-art methods. At the same time, the proposed architecture allows the interpretability of the input series by leveraging the combination of learnable time functions that improve the network performance in subsequent tasks and expedite the inaugural application of convolutions in this field.

CLOct 12, 2022
DATScore: Evaluating Translation with Data Augmented Translations

Moussa Kamal Eddine, Guokan Shang, Michalis Vazirgiannis

The rapid development of large pretrained language models has revolutionized not only the field of Natural Language Generation (NLG) but also its evaluation. Inspired by the recent work of BARTScore: a metric leveraging the BART language model to evaluate the quality of generated text from various aspects, we introduce DATScore. DATScore uses data augmentation techniques to improve the evaluation of machine translation. Our main finding is that introducing data augmented translations of the source and reference texts is greatly helpful in evaluating the quality of the generated translation. We also propose two novel score averaging and term weighting strategies to improve the original score computing process of BARTScore. Experimental results on WMT show that DATScore correlates better with human meta-evaluations than the other recent state-of-the-art metrics, especially for low-resource languages. Ablation studies demonstrate the value added by our new scoring strategies. Moreover, we report in our extended experiments the performance of DATScore on 3 NLG tasks other than translation.

SIApr 15, 2022
Political Communities on Twitter: Case Study of the 2022 French Presidential Election

Hadi Abdine, Yanzhu Guo, Virgile Rennard et al.

With the significant increase in users on social media platforms, a new means of political campaigning has appeared. Twitter and Facebook are now notable campaigning tools during elections. Indeed, the candidates and their parties now take to the internet to interact and spread their ideas. In this paper, we aim to identify political communities formed on Twitter during the 2022 French presidential election and analyze each respective community. We create a large-scale Twitter dataset containing 1.2 million users and 62.6 million tweets that mention keywords relevant to the election. We perform community detection on a retweet graph of users and propose an in-depth analysis of the stance of each community. Finally, we attempt to detect offensive tweets and automatic bots, comparing across communities in order to gain insight into each candidate's supporter demographics and online campaign strategy.

LGSep 16, 2024
Signed Graph Autoencoder for Explainable and Polarization-Aware Network Embeddings

Nikolaos Nakis, Chrysoula Kosma, Giannis Nikolentzos et al.

Autoencoders based on Graph Neural Networks (GNNs) have garnered significant attention in recent years for their ability to extract informative latent representations, characterizing the structure of complex topologies, such as graphs. Despite the prevalence of Graph Autoencoders, there has been limited focus on developing and evaluating explainable neural-based graph generative models specifically designed for signed networks. To address this gap, we propose the Signed Graph Archetypal Autoencoder (SGAAE) framework. SGAAE extracts node-level representations that express node memberships over distinct extreme profiles, referred to as archetypes, within the network. This is achieved by projecting the graph onto a learned polytope, which governs its polarization. The framework employs a recently proposed likelihood for analyzing signed networks based on the Skellam distribution, combined with relational archetypal analysis and GNNs. Our experimental evaluation demonstrates the SGAAEs' capability to successfully infer node memberships over the different underlying latent structures while extracting competing communities formed through the participation of the opposing views in the network. Additionally, we introduce the 2-level network polarization problem and show how SGAAE is able to characterize such a setting. The proposed model achieves high performance in different tasks of signed link prediction across four real-world datasets, outperforming several baseline models.

CVMay 27, 2022
Image Keypoint Matching using Graph Neural Networks

Nancy Xu, Giannis Nikolentzos, Michalis Vazirgiannis et al.

Image matching is a key component of many tasks in computer vision and its main objective is to find correspondences between features extracted from different natural images. When images are represented as graphs, image matching boils down to the problem of graph matching which has been studied intensively in the past. In recent years, graph neural networks have shown great potential in the graph matching task, and have also been applied to image matching. In this paper, we propose a graph neural network for the problem of image matching. The proposed method first generates initial soft correspondences between keypoints using localized node embeddings and then iteratively refines the initial correspondences using a series of graph neural network layers. We evaluate our method on natural image datasets with keypoint annotations and show that, in comparison to a state-of-the-art model, our method speeds up inference times without sacrificing prediction accuracy.

LGApr 21, 2023
What Do GNNs Actually Learn? Towards Understanding their Representations

Giannis Nikolentzos, Michail Chatzianastasis, Michalis Vazirgiannis

In recent years, graph neural networks (GNNs) have achieved great success in the field of graph representation learning. Although prior work has shed light on the expressiveness of those models (\ie whether they can distinguish pairs of non-isomorphic graphs), it is still not clear what structural information is encoded into the node representations that are learned by those models. In this paper, we address this gap by studying the node representations learned by four standard GNN models. We find that some models produce identical representations for all nodes, while the representations learned by other models are linked to some notion of walks of specific length that start from the nodes. We establish Lipschitz bounds for these models with respect to the number of (normalized) walks. Additionally, we investigate the influence of node features on the learned representations. We find that if the initial representations of all nodes point in the same direction, the representations learned at the $k$-th layer of the models are also related to the initial features of nodes that can be reached in exactly $k$ steps. We also apply our findings to understand the phenomenon of oversquashing that occurs in GNNs. Our theoretical analysis is validated through experiments on synthetic and real-world datasets.

CLOct 11, 2022
Word Sense Induction with Hierarchical Clustering and Mutual Information Maximization

Hadi Abdine, Moussa Kamal Eddine, Michalis Vazirgiannis et al.

Word sense induction (WSI) is a difficult problem in natural language processing that involves the unsupervised automatic detection of a word's senses (i.e. meanings). Recent work achieves significant results on the WSI task by pre-training a language model that can exclusively disambiguate word senses, whereas others employ previously pre-trained language models in conjunction with additional strategies to induce senses. In this paper, we propose a novel unsupervised method based on hierarchical clustering and invariant information clustering (IIC). The IIC is used to train a small model to optimize the mutual information between two vector representations of a target word occurring in a pair of synthetic paraphrases. This model is later used in inference mode to extract a higher quality vector representation to be used in the hierarchical clustering. We evaluate our method on two WSI tasks and in two distinct clustering configurations (fixed and dynamic number of clusters). We empirically demonstrate that, in certain cases, our approach outperforms prior WSI state-of-the-art methods, while in others, it achieves a competitive performance.

CLFeb 5
GreekMMLU: A Native-Sourced Multitask Benchmark for Evaluating Language Models in Greek

Yang Zhang, Mersin Konomi, Christos Xypolopoulos et al.

Large Language Models (LLMs) are commonly trained on multilingual corpora that include Greek, yet reliable evaluation benchmarks for Greek-particularly those based on authentic, native-sourced content-remain limited. Existing datasets are often machine-translated from English, failing to capture Greek linguistic and cultural characteristics. We introduce GreekMMLU, a native-sourced benchmark for massive multitask language understanding in Greek, comprising 21,805 multiple-choice questions across 45 subject areas, organized under a newly defined subject taxonomy and annotated with educational difficulty levels spanning primary to professional examinations. All questions are sourced or authored in Greek from academic, professional, and governmental exams. We publicly release 16,857 samples and reserve 4,948 samples for a private leaderboard to enable robust and contamination-resistant evaluation. Evaluations of over 80 open- and closed-source LLMs reveal substantial performance gaps between frontier and open-weight models, as well as between Greek-adapted models and general multilingual ones. Finally, we provide a systematic analysis of factors influencing performance-including model scale, adaptation, and prompting-and derive insights for improving LLM capabilities in Greek.

CLDec 2, 2025
Fast-Decoding Diffusion Language Models via Progress-Aware Confidence Schedules

Amr Mohamed, Yang Zhang, Michalis Vazirgiannis et al.

Diffusion large language models (dLLMs) offer a promising alternative to autoregressive models, but their practical utility is severely hampered by slow, iterative sampling. We present SchED, a training-free, model-agnostic early-exit algorithm that aggregates full-span logit margins and halts decoding once a smooth, progress-dependent confidence threshold is met. We evaluated SchED on two dLLM families (Dream and LLaDA), in base and instruction-tuned variants across ten benchmarks spanning downstream tasks including multiple-choice question answering (MCQ), math, long-form QA/summarization, and translation. SchED delivers large, stable accelerations: on instruction-tuned models, it achieves $3.8$-$4.0\times$ speedups while retaining $99.8$-$100\%$ of the baseline score on average. On base models, SchED yields consistent speedup gains with $99.1$-$100\%$ performance retention, with up to $2.34\times$ under more aggressive settings. Using a conservative speed metric that heavily penalizes quality loss (QPS, $γ{=}4$), we show that SchED is robust and clearly outperforms prior confidence-based early-exit methods, which break down on long-form generation. An entropy analysis of the model's token predictions reveals that instruction tuning speeds up the decay of predictive entropy. By turning genuine confidence stabilization into computational savings, SchED makes dLLM decoding substantially more efficient.

CLMar 11
Markovian Generation Chains in Large Language Models

Mingmeng Geng, Amr Mohamed, Guokan Shang et al.

The widespread use of large language models (LLMs) raises an important question: how do texts evolve when they are repeatedly processed by LLMs? In this paper, we define this iterative inference process as Markovian generation chains, where each step takes a specific prompt template and the previous output as input, without including any prior memory. In iterative rephrasing and round-trip translation experiments, the output either converges to a small recurrent set or continues to produce novel sentences over a finite horizon. Through sentence-level Markov chain modeling and analysis of simulated data, we show that iterative process can either increase or reduce sentence diversity depending on factors such as the temperature parameter and the initial input sentence. These results offer valuable insights into the dynamics of iterative LLM inference and their implications for multi-agent LLM systems.

LGJul 11, 2023
Supervised Attention Using Homophily in Graph Neural Networks

Michail Chatzianastasis, Giannis Nikolentzos, Michalis Vazirgiannis

Graph neural networks have become the standard approach for dealing with learning problems on graphs. Among the different variants of graph neural networks, graph attention networks (GATs) have been applied with great success to different tasks. In the GAT model, each node assigns an importance score to its neighbors using an attention mechanism. However, similar to other graph neural networks, GATs aggregate messages from nodes that belong to different classes, and therefore produce node representations that are not well separated with respect to the different classes, which might hurt their performance. In this work, to alleviate this problem, we propose a new technique that can be incorporated into any graph attention model to encourage higher attention scores between nodes that share the same class label. We evaluate the proposed method on several node classification datasets demonstrating increased performance over standard baseline models.

LGFeb 21, 2024Code
A Simple and Yet Fairly Effective Defense for Graph Neural Networks

Sofiane Ennadir, Yassine Abbahaddou, Johannes F. Lutzeyer et al.

Graph Neural Networks (GNNs) have emerged as the dominant approach for machine learning on graph-structured data. However, concerns have arisen regarding the vulnerability of GNNs to small adversarial perturbations. Existing defense methods against such perturbations suffer from high time complexity and can negatively impact the model's performance on clean graphs. To address these challenges, this paper introduces NoisyGNNs, a novel defense method that incorporates noise into the underlying model's architecture. We establish a theoretical connection between noise injection and the enhancement of GNN robustness, highlighting the effectiveness of our approach. We further conduct extensive empirical evaluations on the node classification task to validate our theoretical findings, focusing on two popular GNNs: the GCN and GIN. The results demonstrate that NoisyGNN achieves superior or comparable defense performance to existing methods while minimizing added time complexity. The NoisyGNN approach is model-agnostic, allowing it to be integrated with different GNN architectures. Successful combinations of our NoisyGNN approach with existing defense techniques demonstrate even further improved adversarial defense results. Our code is publicly available at: https://github.com/Sennadir/NoisyGNN.

LGApr 27, 2024Code
Bounding the Expected Robustness of Graph Neural Networks Subject to Node Feature Attacks

Yassine Abbahaddou, Sofiane Ennadir, Johannes F. Lutzeyer et al.

Graph Neural Networks (GNNs) have demonstrated state-of-the-art performance in various graph representation learning tasks. Recently, studies revealed their vulnerability to adversarial attacks. In this work, we theoretically define the concept of expected robustness in the context of attributed graphs and relate it to the classical definition of adversarial robustness in the graph representation learning literature. Our definition allows us to derive an upper bound of the expected robustness of Graph Convolutional Networks (GCNs) and Graph Isomorphism Networks subject to node feature attacks. Building on these findings, we connect the expected robustness of GNNs to the orthonormality of their weight matrices and consequently propose an attack-independent, more robust variant of the GCN, called the Graph Convolutional Orthonormal Robust Networks (GCORNs). We further introduce a probabilistic method to estimate the expected robustness, which allows us to evaluate the effectiveness of GCORN on several real-world datasets. Experimental experiments showed that GCORN outperforms available defense methods. Our code is publicly available at: \href{https://github.com/Sennadir/GCORN}{https://github.com/Sennadir/GCORN}.

LGMay 15
GraViti: Graph-Level Variational Autoencoders with Relaxed Permutation Invariance

Roman Bresson, Konstantinos Divriotis, Johannes F. Lutzeyer et al.

We introduce GraViti, a transformer-based graph-level variational autoencoder that maps entire graphs to compact latent vectors. This design produces a true graph-level latent space that supports smooth interpolation, property-guided search, and other downstream tasks beyond the constraints of node-level embeddings. On molecular benchmarks, GraViti learns to decode valid samples that follow the chemical constraints present in the training data, showing that the model recovers domain rules directly from graph-level representations. We also show that, in domains where a reliable canonical node ordering exists such as molecules or bayesian networks, enforcing permutation invariance can prove detrimental for consistent reconstruction. GraViti achieves state-of-the-art reconstruction accuracy on large datasets, and provides solid generative performance. Its single-step decoding offers a lightweight alternative to more complex generation pipelines while maintaining practical sample quality.

LGJun 26, 2024Code
KAGNNs: Kolmogorov-Arnold Networks meet Graph Learning

Roman Bresson, Giannis Nikolentzos, George Panagopoulos et al.

In recent years, Graph Neural Networks (GNNs) have become the de facto tool for learning node and graph representations. Most GNNs typically consist of a sequence of neighborhood aggregation (a.k.a., message-passing) layers, within which the representation of each node is updated based on those of its neighbors. The most expressive message-passing GNNs can be obtained through the use of the sum aggregator and of MLPs for feature transformation, thanks to their universal approximation capabilities. However, the limitations of MLPs recently motivated the introduction of another family of universal approximators, called Kolmogorov-Arnold Networks (KANs) which rely on a different representation theorem. In this work, we compare the performance of KANs against that of MLPs on graph learning tasks. We implement three new KAN-based GNN layers, inspired respectively by the GCN, GAT and GIN layers. We evaluate two different implementations of KANs using two distinct base families of functions, namely B-splines and radial basis functions. We perform extensive experiments on node classification, link prediction, graph classification and graph regression datasets. Our results indicate that KANs are on-par with or better than MLPs on all tasks studied in this paper. We also show that the size and training speed of RBF-based KANs is only marginally higher than for MLPs, making them viable alternatives. Code available at https://github.com/RomanBresson/KAGNN.

LGSep 4, 2021Code
Node Feature Kernels Increase Graph Convolutional Network Robustness

Mohamed El Amine Seddik, Changmin Wu, Johannes F. Lutzeyer et al.

The robustness of the much-used Graph Convolutional Networks (GCNs) to perturbations of their input is becoming a topic of increasing importance. In this paper, the random GCN is introduced for which a random matrix theory analysis is possible. This analysis suggests that if the graph is sufficiently perturbed, or in the extreme case random, then the GCN fails to benefit from the node features. It is furthermore observed that enhancing the message passing step in GCNs by adding the node feature kernel to the adjacency matrix of the graph structure solves this problem. An empirical study of a GCN utilised for node classification on six real datasets further confirms the theoretical findings and demonstrates that perturbations of the graph structure can result in GCNs performing significantly worse than Multi-Layer Perceptrons run on the node features alone. In practice, adding a node feature kernel to the message passing of perturbed graphs results in a significant improvement of the GCN's performance, thereby rendering it more robust to graph perturbations. Our code is publicly available at:https://github.com/ChangminWu/RobustGCN.

LGSep 2, 2021Code
Sparsifying the Update Step in Graph Neural Networks

Johannes F. Lutzeyer, Changmin Wu, Michalis Vazirgiannis

Message-Passing Neural Networks (MPNNs), the most prominent Graph Neural Network (GNN) framework, celebrate much success in the analysis of graph-structured data. Concurrently, the sparsification of Neural Network models attracts a great amount of academic and industrial interest. In this paper we conduct a structured, empirical study of the effect of sparsification on the trainable part of MPNNs known as the Update step. To this end, we design a series of models to successively sparsify the linear transform in the Update step. Specifically, we propose the ExpanderGNN model with a tuneable sparsification rate and the Activation-Only GNN, which has no linear transform in the Update step. In agreement with a growing trend in the literature the sparsification paradigm is changed by initialising sparse neural network architectures rather than expensively sparsifying already trained architectures. Our novel benchmark models enable a better understanding of the influence of the Update step on model performance and outperform existing simplified benchmark models such as the Simple Graph Convolution. The ExpanderGNNs, and in some cases the Activation-Only models, achieve performance on par with their vanilla counterparts on several downstream tasks, while containing significantly fewer trainable parameters. Our code is publicly available at: https://github.com/ChangminWu/ExpanderGNN.

CLMar 23, 2020Code
Unsupervised Word Polysemy Quantification with Multiresolution Grids of Contextual Embeddings

Christos Xypolopoulos, Antoine J. -P. Tixier, Michalis Vazirgiannis

The number of senses of a given word, or polysemy, is a very subjective notion, which varies widely across annotators and resources. We propose a novel method to estimate polysemy, based on simple geometry in the contextual embedding space. Our approach is fully unsupervised and purely data-driven. We show through rigorous experiments that our rankings are well correlated (with strong statistical significance) with 6 different rankings derived from famous human-constructed resources such as WordNet, OntoNotes, Oxford, Wikipedia etc., for 6 different standard metrics. We also visualize and analyze the correlation between the human rankings. A valuable by-product of our method is the ability to sample, at no extra cost, sentences containing different senses of a given word. Finally, the fully unsupervised nature of our method makes it applicable to any language. Code and data are publicly available at https://github.com/ksipos/polysemy-assessment . The paper was accepted as a long paper at EACL 2021.

CLAug 17, 2019Code
Message Passing Attention Networks for Document Understanding

Giannis Nikolentzos, Antoine J. -P. Tixier, Michalis Vazirgiannis

Graph neural networks have recently emerged as a very effective framework for processing graph-structured data. These models have achieved state-of-the-art performance in many tasks. Most graph neural networks can be described in terms of message passing, vertex update, and readout functions. In this paper, we represent documents as word co-occurrence networks and propose an application of the message passing framework to NLP, the Message Passing Attention network for Document understanding (MPAD). We also propose several hierarchical variants of MPAD. Experiments conducted on 10 standard text classification datasets show that our architectures are competitive with the state-of-the-art. Ablation studies reveal further insights about the impact of the different components on performance. Code is publicly available at: https://github.com/giannisnik/mpad .

HCJul 17, 2019Code
LinTO : Assistant vocal open-source respectueux des données personnelles pour les réunions d'entreprise

Jean-Pierre Lorré, Isabelle Ferrané, Francisco Madrigal et al.

This paper presents the first results of the PIA "Grands Défis du Numérique" research project LinTO. The goal of this project is to develop a conversational assistant to help the company's employees, particularly during meetings. LinTO is an interactive device equipped with microphones, a screen and a 360$^\circ$ camera, which allows to control the room, query company's information system, helps facilitate the meeting and provides an environment to aid minute writing. Distributed according to an open model that respects private data LinTO is the first open-source enterprise's assistant designed to comply with the GDPR requirements.

LGJul 12, 2018Code
Orthogonal Matching Pursuit for Text Classification

Konstantinos Skianis, Nikolaos Tziortziotis, Michalis Vazirgiannis

In text classification, the problem of overfitting arises due to the high dimensionality, making regularization essential. Although classic regularizers provide sparsity, they fail to return highly accurate models. On the contrary, state-of-the-art group-lasso regularizers provide better results at the expense of low sparsity. In this paper, we apply a greedy variable selection algorithm, called Orthogonal Matching Pursuit, for the text classification task. We also extend standard group OMP by introducing overlapping Group OMP to handle overlapping groups of features. Empirical analysis verifies that both OMP and overlapping GOMP constitute powerful regularizers, able to produce effective and very sparse models. Code and data are available online: https://github.com/y3nk0/OMP-for-Text-Classification .

MLJun 6, 2018Code
GraKeL: A Graph Kernel Library in Python

Giannis Siglidis, Giannis Nikolentzos, Stratis Limnios et al.

The problem of accurately measuring the similarity between graphs is at the core of many applications in a variety of disciplines. Graph kernels have recently emerged as a promising approach to this problem. There are now many kernels, each focusing on different structural aspects of graphs. Here, we present GraKeL, a library that unifies several graph kernels into a common framework. The library is written in Python and adheres to the scikit-learn interface. It is simple to use and can be naturally combined with scikit-learn's modules to build a complete machine learning pipeline for tasks such as graph classification and clustering. The code is BSD licensed and is available at: https://github.com/ysig/GraKeL .

CEMay 9
PPI2Text: Captioning Protein-Protein Interactions with Coordinate-Aligned Pair-Map Decoding

Xiao Fei, Sarah Almeida Carneiro, Yang Zhang et al.

Protein-protein interaction (PPI) modeling has been widely studied as a binary or multi-label classification task. While emerging multimodal large language models (LLMs) can now describe single proteins, they remain unable to generate free-form descriptions of interactions between protein pairs. Moving beyond controlled vocabulary annotations, we propose to model PPI using free-text description, enabling richer expressiveness, improved interpretability, and better integration with literature knowledge base. We present PPI2Text, a multimodal LLM for free-form PPI captioning from amino acid sequences, that encodes each protein using ESM3 encoder, constructs a pair map from the two representations to capture interactions across all residue pairs, and autoregressively generates descriptions using a Qwen3 language decoder. We further introduce PaCo-RoPE, a coordinate-aligned positional encoding that aligns each axis of the pair grid with the residue positions of the corresponding protein. In addition, we release PPI2Text-Dataset, a 351k-pair corpus of free-form PPI descriptions aggregated from ten curated biological databases and further synthesized with Gemini under evidence-tiered prompting. PPI2Text consistently outperforms strong baselines across multiple ablation settings and evaluation protocols. It not only achieves higher scores on linguistic metrics against synthesized references, but also excels on factuality metrics, where an LLM-based judge evaluates outputs against raw biological evidence.

LGMar 3, 2024
Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Models

Iakovos Evdaimon, Giannis Nikolentzos, Christos Xypolopoulos et al.

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they struggle with the high-dimensional complexity and varied nature of graph properties. In this paper, we introduce the Neural Graph Generator (NGG), a novel approach which utilizes conditioned latent diffusion models for graph generation. NGG demonstrates a remarkable capacity to model complex graph patterns, offering control over the graph generation process. NGG employs a variational graph autoencoder for graph compression and a diffusion process in the latent vector space, guided by vectors summarizing graph statistics. We demonstrate NGG's versatility across various graph generation tasks, showing its capability to capture desired graph properties and generalize to unseen graphs. We also compare our generator to the graph generation capabilities of different LLMs. This work signifies a shift in graph generation methodologies, offering a more practical and efficient solution for generating diverse graphs with specific characteristics.