Large language models (LLMs) can struggle to memorize factual knowledge in their parameters, often leading to hallucinations and poor performance on knowledge-intensive tasks. In this paper, we formalize fact memorization from an information-theoretic perspective and study how training data distributions affect fact accuracy. We show that fact accuracy is suboptimal (below the capacity limit) whenever the amount of information contained in the training data facts exceeds model capacity. This is further exacerbated when the fact frequency distribution is skewed (e.g. a power law). We propose data selection schemes based on the training loss alone that aim to limit the number of facts in the training data and flatten their frequency distribution. On semi-synthetic datasets containing high-entropy facts, our selection method effectively boosts fact accuracy to the capacity limit. When pretraining language models from scratch on an annotated Wikipedia corpus, our selection method enables a GPT2-Small model (110m parameters) to memorize 1.3X more entity facts compared to standard training, matching the performance of a 10X larger model (1.3B parameters) pretrained on the full dataset.

We study the effects of center initialization on the performance of a family of distributed gradient-based clustering algorithms introduced in [1], that work over connected networks of users. In the considered scenario, each user contains a local dataset and communicates only with its immediate neighbours, with the aim of finding a global clustering of the joint data. We perform extensive numerical experiments, evaluating the effects of center initialization on the performance of our family of methods, demonstrating that our methods are more resilient to the effects of initialization, compared to centralized gradient clustering [2]. Next, inspired by the $K$-means++ initialization [3], we propose a novel distributed center initialization scheme, which is shown to improve the performance of our methods, compared to the baseline random initialization.

Missing data is a ubiquitous challenge in data analysis, often leading to biased and inaccurate results. Traditional imputation methods usually assume that the missingness mechanism is missing-at-random (MAR), where the missingness is independent of the missing values themselves. This assumption is frequently violated in real-world scenarios, prompted by recent advances in imputation methods using deep learning to address this challenge. However, these methods neglect the crucial issue of nonparametric identifiability in missing-not-at-random (MNAR) data, which can lead to biased and unreliable results. This paper seeks to bridge this gap by proposing a novel framework based on deep latent variable models for MNAR data. Building on the assumption of conditional no self-censoring given latent variables, we establish the identifiability of the data distribution. This crucial theoretical result guarantees the feasibility of our approach. To effectively estimate unknown parameters, we develop an efficient algorithm utilizing importance-weighted autoencoders. We demonstrate, both theoretically and empirically, that our estimation process accurately recovers the ground-truth joint distribution under specific regularity conditions. Extensive simulation studies and real-world data experiments showcase the advantages of our proposed method compared to various classical and state-of-the-art approaches to missing data imputation.

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However, discrete energy-based models typically struggle with efficient and high-quality sampling, as off-support regions often contain spurious local minima, trapping samplers and causing training instabilities. This has historically resulted in a fidelity gap relative to discrete diffusion models. We introduce Graph Energy Matching (GEM), a generative framework for graphs that closes this fidelity gap. Motivated by the transport map optimization perspective of the Jordan-Kinderlehrer-Otto (JKO) scheme, GEM learns a permutation-invariant potential energy that simultaneously provides transport-aligned guidance from noise toward data and refines samples within regions of high data likelihood. Further, we introduce a sampling protocol that leverages an energy-based switch to seamlessly bridge: (i) rapid, gradient-guided transport toward high-probability regions to (ii) a mixing regime for exploration of the learned graph distribution. On molecular graph benchmarks, GEM matches or exceeds strong discrete diffusion baselines. Beyond sample quality, explicit modeling of relative likelihood enables targeted exploration at inference time, facilitating compositional generation, property-constrained sampling, and geodesic interpolation between graphs.

Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive (AR) models for language modeling, allowing flexible generation order and parallel generation of multiple tokens. However, this flexibility introduces a challenge absent in AR models: the \emph{decoding strategy} -- which determines the order and number of tokens generated at each iteration -- critically affects sampling efficiency. Among decoding strategies explored in practice, confidence-based methods, which adaptively select which and how many tokens to unmask based on prediction confidence, have shown strong empirical performance. Despite this success, our theoretical understanding of confidence-based decoding remains limited. In this work, we develop the first theoretical analysis framework for confidence-based decoding in DLMs. We focus on an entropy sum-based strategy that continues unmasking tokens within each iteration until the cumulative entropy exceeds a threshold, and show that it achieves $\varepsilon$-accurate sampling in KL divergence with an expected number of iterations $\widetilde O(H(X_0)/\varepsilon)$, where $H(X_0)$ denotes the entropy of the target data distribution. Notably, this strategy yields substantial sampling acceleration when the data distribution has low entropy relative to the sequence length, while automatically adapting to the intrinsic complexity of data without requiring prior knowledge or hyperparameter tuning. Overall, our results provide a theoretical foundation for confidence-based decoding and may inform the design of more efficient decoding strategies for DLMs.

Anomaly and failure detection methods are crucial in identifying deviations from normal system operational conditions, which allows for actions to be taken in advance, usually preventing more serious damages. Long-lasting deviations indicate failures, while sudden, isolated changes in the data indicate anomalies. However, in many practical applications, changes in the data do not always represent abnormal system states. Such changes may be recognized incorrectly as failures, while being a normal evolution of the system, e.g. referring to characteristics of starting the processing of a new product, i.e. realizing a domain shift. Therefore, distinguishing between failures and such ''healthy'' changes in data distribution is critical to ensure the practical robustness of the system. In this paper, we propose a method that not only detects changes in the data distribution and anomalies but also allows us to distinguish between failures and normal domain shifts inherent to a given process. The proposed method consists of a modified Page-Hinkley changepoint detector for identification of the domain shift and possible failures and supervised domain-adaptation-based algorithms for fast, online anomaly detection. These two are coupled with an explainable artificial intelligence (XAI) component that aims at helping the human operator to finally differentiate between domain shifts and failures. The method is illustrated by an experiment on a data stream from the steel factory.

Data-Free Model Extraction (DFME) aims to clone a black-box model without knowing its original training data distribution, making it much easier for attackers to steal commercial models. Defense against DFME faces several challenges: (i) effectiveness; (ii) efficiency; (iii) no prior on the attacker's query data distribution and strategy. However, existing defense methods: (1) are highly computation and memory inefficient; or (2) need strong assumptions about attack data distribution; or (3) can only delay the attack or prove a model theft after the model stealing has happened. In this work, we propose a Memory and Computation efficient defense approach, named MeCo, to prevent DFME from happening while maintaining the model utility simultaneously by distributionally robust defensive training on the target victim model. Specifically, we randomize the input so that it: (1) causes a mismatch of the knowledge distillation loss for attackers; (2) disturbs the zeroth-order gradient estimation; (3) changes the label prediction for the attack query data. Therefore, the attacker can only extract misleading information from the black-box model. Extensive experiments on defending against both decision-based and score-based DFME demonstrate that MeCo can significantly reduce the effectiveness of existing DFME methods and substantially improve running efficiency.

This article introduces an energy-based model that is adversarial regarding data: it minimizes the energy for a given data distribution (the positive samples) while maximizing the energy for another given data distribution (the negative or unlabeled samples). The model is especially instantiated with autoencoders where the energy, represented by the reconstruction error, provides a general distance measure for unknown data. The resulting neural network thus learns to reconstruct data from the first distribution while crushing data from the second distribution. This solution can handle different problems such as Positive and Unlabeled (PU) learning or covariate shift, especially with imbalanced data. Using autoencoders allows handling a large variety of data, such as images, text or even dialogues. Our experiments show the flexibility of the proposed approach in dealing with different types of data in different settings: images with CIFAR-10 and CIFAR-100 (not-in-training setting), text with Amazon reviews (PU learning) and dialogues with Facebook bAbI (next response classification and dialogue completion).

Supervised learning with large scale labelled datasets and deep layered models has caused a paradigm shift in diverse areas in learning and recognition. However, this approach still suffers from generalization issues under the presence of a domain shift between the training and the test data distribution. Since unsupervised domain adaptation algorithms directly address this domain shift problem between a labelled source dataset and an unlabelled target dataset, recent papers have shown promising results by fine-tuning the networks with domain adaptation loss functions which try to align the mismatch between the training and testing data distributions. Nevertheless, these recent deep learning based domain adaptation approaches still suffer from issues such as high sensitivity to the gradient reversal hyperparameters and overfitting during the fine-tuning stage. In this paper, we propose a unified deep learning framework where the representation, cross domain transformation, and target label inference are all jointly optimized in an end-to-end fashion for unsupervised domain adaptation. Our experiments show that the proposed method significantly outperforms state-of-the-art algorithms in both object recognition and digit classification experiments by a large margin. We will make our learned models as well as the source code available immediately upon acceptance.

Imbalanced datasets pose a difficulty in fraud detection, as classifiers are often biased toward the majority class and perform poorly on rare fraudulent transactions. Synthetic data generation is therefore commonly used to mitigate this problem. In this work, we propose the Clustered Embedding Diffusion-Transformer (EmDT), a diffusion model designed to generate fraudulent samples. Our key innovation is to leverage UMAP clustering to identify distinct fraudulent patterns, and train a Transformer denoising network with sinusoidal positional embeddings to capture feature relationships throughout the diffusion process. Once the synthetic data has been generated, we employ a standard decision-tree-based classifier (e.g., XGBoost) for classification, as this type of model remains better suited to tabular datasets. Experiments on a credit card fraud detection dataset demonstrate that EmDT significantly improves downstream classification performance compared to existing oversampling and generative methods, while maintaining comparable privacy protection and preserving feature correlations present in the original data.