Miracle-dz/UniFAR-FTUs huggingface dataset:
Atypical lexical abbreviations identification in Russian medical texts

Abbreviation is a method of word formation that aims to construct the shortened term from the first letters of the initial phrase. Implicit abbreviations frequently cause the comprehension difficulties for unprepared readers. In this paper, we propose an efficient ML-based algorithm which allows to identify the abbreviations in Russian texts. The method achieves ROC AUC score 0.926 and F1 score 0.706 which are confirmed as competitive in comparison with the baselines. Along with the pipeline, we also establish first to our knowledge Russian dataset that is relevant for the desired task.
Torsional Diffusion for Molecular Conformer Generation

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a novel diffusion framework that operates on the space of torsion angles via a diffusion process on the hypertorus and an extrinsic-to-intrinsic score model. On a standard benchmark of drug-like molecules, torsional diffusion generates superior conformer ensembles compared to machine learning and cheminformatics methods in terms of both RMSD and chemical properties, and is orders of magnitude faster than previous diffusion-based models. Moreover, our model provides exact likelihoods, which we employ to build the first generalizable Boltzmann generator. Code is available at https://github.com/gcorso/torsional-diffusion.
Mean Estimation in High-Dimensional Binary Markov Gaussian Mixture Models

We consider a high-dimensional mean estimation problem over a binary hidden Markov model, which illuminates the interplay between memory in data, sample size, dimension, and signal strength in statistical inference. In this model, an estimator observes $n$ samples of a $d$-dimensional parameter vector $\theta_{*}\in\mathbb{R}^{d}$, multiplied by a random sign $ S_i $ ($1\le i\le n$), and corrupted by isotropic standard Gaussian noise. The sequence of signs $\{S_{i}\}_{i\in[n]}\in\{-1,1\}^{n}$ is drawn from a stationary homogeneous Markov chain with flip probability $\delta\in[0,1/2]$. As $\delta$ varies, this model smoothly interpolates two well-studied models: the Gaussian Location Model for which $\delta=0$ and the Gaussian Mixture Model for which $\delta=1/2$. Assuming that the estimator knows $\delta$, we establish a nearly minimax optimal (up to logarithmic factors) estimation error rate, as a function of $\|\theta_{*}\|,\delta,d,n$. We then provide an upper bound to the case of estimating $\delta$, assuming a (possibly inaccurate) knowledge of $\theta_{*}$. The bound is proved to be tight when $\theta_{*}$ is an accurately known constant. These results are then combined to an algorithm which estimates $\theta_{*}$ with $\delta$ unknown a priori, and theoretical guarantees on its error are stated.
Stylistic Fingerprints, POS-tags, and Inflected Languages: A Case Study in Polish

ABSTRACT In stylometric investigations, frequencies of the most frequent words (MFWs) and character n-grams outperform other style-markers, even if their performance varies significantly across languages. In inflected languages, word endings play a prominent role, and hence different word forms cannot be recognized using generic text tokenization. Countless inflected word forms make frequencies sparse, making most statistical procedures complicated. Presumably, applying one of the NLP techniques, such as lemmatization and/or parsing, might increase the performance of classification. The aim of this paper is to examine the usefulness of grammatical features (as assessed via POS-tag n-grams) and lemmatized forms in recognizing authorial profiles, in order to address the underlying issue of the degree of freedom of choice within lexis and grammar. Using a corpus of Polish novels, we performed a series of supervised authorship attribution benchmarks, in order to compare the classification accuracy for different types of lexical and syntactic style-markers. Even if the performance of POS-tags as well as lemmatized forms was notoriously worse than that of lexical markers, the difference was not substantial and never exceeded ca. 15%.
Dual Decomposition of Convex Optimization Layers for Consistent Attention in Medical Images

A key concern in integrating machine learning models in medicine is the ability to interpret their reasoning. Popular explainability methods have demonstrated satisfactory results in natural image recognition, yet in medical image analysis, many of these approaches provide partial and noisy explanations. Recently, attention mechanisms have shown compelling results both in their predictive performance and in their interpretable qualities. A fundamental trait of attention is that it leverages salient parts of the input which contribute to the model's prediction. To this end, our work focuses on the explanatory value of attention weight distributions. We propose a multi-layer attention mechanism that enforces consistent interpretations between attended convolutional layers using convex optimization. We apply duality to decompose the consistency constraints between the layers by reparameterizing their attention probability distributions. We further suggest learning the dual witness by optimizing with respect to our objective; thus, our implementation uses standard back-propagation, hence it is highly efficient. While preserving predictive performance, our proposed method leverages weakly annotated medical imaging data and provides complete and faithful explanations to the model's prediction.
Embrace the Gap: VAEs Perform Independent Mechanism Analysis

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact (log-)marginal likelihood. While VAEs are commonly used for representation learning, it is unclear why ELBO maximization would yield useful representations, since unregularized maximum likelihood estimation cannot invert the data-generating process. Yet, VAEs often succeed at this task. We seek to elucidate this apparent paradox by studying nonlinear VAEs in the limit of near-deterministic decoders. We first prove that, in this regime, the optimal encoder approximately inverts the decoder -- a commonly used but unproven conjecture -- which we refer to as {\em self-consistency}. Leveraging self-consistency, we show that the ELBO converges to a regularized log-likelihood. This allows VAEs to perform what has recently been termed independent mechanism analysis (IMA): it adds an inductive bias towards decoders with column-orthogonal Jacobians, which helps recovering the true latent factors. The gap between ELBO and log-likelihood is therefore welcome, since it bears unanticipated benefits for nonlinear representation learning. In experiments on synthetic and image data, we show that VAEs uncover the true latent factors when the data generating process satisfies the IMA assumption.
Estimating Building Energy Efficiency From Street View Imagery, Aerial Imagery, and Land Surface Temperature Data

Current methods to determine the energy efficiency of buildings require on-site visits of certified energy auditors which makes the process slow, costly, and geographically incomplete. To accelerate the identification of promising retrofit targets on a large scale, we propose to estimate building energy efficiency from widely available and remotely sensed data sources only, namely street view, aerial view, footprint, and satellite-borne land surface temperature (LST) data. After collecting data for almost 40,000 buildings in the United Kingdom, we combine these data sources by training multiple end-to-end deep learning models with the objective to classify buildings as energy efficient (EU rating A-D) or inefficient (EU rating E-G). After evaluating the trained models quantitatively as well as qualitatively, we extend our analysis by studying the predictive power of each data source in an ablation study. We find that the end-to-end deep learning model trained on all four data sources achieves a macro-averaged F1 score of 64.64% and outperforms the k-NN and SVM-based baseline models by 14.13 to 12.02 percentage points, respectively. Thus, this work shows the potential and complementary nature of remotely sensed data in predicting energy efficiency and opens up new opportunities for future work to integrate additional data sources.
Multipliers, Self-Induced and Dual Banach Algebras

In the first part of the paper, we present a short survey of the theory of multipliers, or double centralisers, of Banach algebras and completely contractive Banach algebras. Our approach is very algebraic: this is a deliberate attempt to separate essentially algebraic arguments from topological arguments. We concentrate upon the problem of how to extend module actions, and homomorphisms, from algebras to multiplier algebras. We then consider the special cases when we have a bounded approximate identity, and when our algebra is self-induced. In the second part of the paper, we mainly concentrate upon dual Banach algebras. We provide a simple criterion for when a multiplier algebra is a dual Banach algebra. This is applied to show that the multiplier algebra of the convolution algebra of a locally compact quantum group is always a dual Banach algebra. We also study this problem within the framework of abstract Pontryagin duality, and show that we construct the same weak$^*$-topology. We explore the notion of a Hopf convolution algebra, and show that in many cases, the use of the extended Haagerup tensor product can be replaced by a multiplier algebra.
Variational properties of the abstract subdifferential operator

Abstract convexity generalises classical convexity by considering the suprema of functions taken from an arbitrarily defined set of functions. These are called the abstract linear (abstract affine) functions. The purpose of this paper is to study the abstract subdifferential. We obtain a number of results on the calculus of this subdifferential: summation and composition rules, and prove that under some reasonable conditions the subdifferential is a maximal abstract monotone operator. Another contribution of this paper is a counterexample that demonstrates that the separation theorem between two abstract convex sets is generally not true. The lack of the extension of separation results to the case of abstract convexity is one of the obstacles in the development of abstract convexity based numerical methods.
Debiased Machine Learning without Sample-Splitting for Stable Estimators

Estimation and inference on causal parameters is typically reduced to a generalized method of moments problem, which involves auxiliary functions that correspond to solutions to a regression or classification problem. Recent line of work on debiased machine learning shows how one can use generic machine learning estimators for these auxiliary problems, while maintaining asymptotic normality and root-$n$ consistency of the target parameter of interest, while only requiring mean-squared-error guarantees from the auxiliary estimation algorithms. The literature typically requires that these auxiliary problems are fitted on a separate sample or in a cross-fitting manner. We show that when these auxiliary estimation algorithms satisfy natural leave-one-out stability properties, then sample splitting is not required. This allows for sample re-use, which can be beneficial in moderately sized sample regimes. For instance, we show that the stability properties that we propose are satisfied for ensemble bagged estimators, built via sub-sampling without replacement, a popular technique in machine learning practice.
Error Analysis of Time-Discrete Random Batch Method for Interacting Particle Systems and Associated Mean-Field Limits

The random batch method provides an efficient algorithm for computing statistical properties of a canonical ensemble of interacting particles. In this work, we study the error estimates of the fully discrete random batch method, especially in terms of approximating the invariant distribution. The triangle inequality framework employed in this paper is a convenient approach to estimate the long-time sampling error of the numerical methods. Using the triangle inequality framework, we show that the long-time error of the discrete random batch method is $O(\sqrt {\tau } + e^{-\lambda t})$, where $\tau $ is the time step and $\lambda $ is the convergence rate, which does not depend on the time step $\tau $ or the number of particles $N$. Our results also apply to the McKean–Vlasov process, which is the mean-field limit of the interacting particle system as the number of particles $N\rightarrow \infty $.
Robust Image Protection Countering Cropping Manipulation

—Image cropping is an inexpensive and effective op- eration of maliciously altering image contents. Existing cropping detection mechanisms analyze the fundamental traces of image cropping, for example, chromatic aberration and vignetting to uncover cropping attack, yet fragile to common post-processing attacks which deceive forensics by removing such cues. Besides, they ignore the fact that recovering the cropped-out contents can unveil the purpose of the behaved cropping attack. This paper presents a novel robust watermarking scheme for image Cropping Localization and Recovery (CLR-Net). We ﬁrst protect the original image by introducing imperceptible perturbations. Then, typical image post-processing attacks are simulated to erode the protected image. On the recipient’s side, we predict the cropping mask and recover the original image. We propose two plug-and-play networks to improve the real-world robustness of CLR-Net, namely, the Fine-Grained generative JPEG simulator (FG-JPEG) and the Siamese image pre-processing network. To the best of our knowledge, we are the ﬁrst to address the combined challenge of image cropping localization and entire image recovery from a fragment. Experiments demonstrate that CLR-Net can accurately localize the cropping as well as recover the details of the cropped-out regions with both high quality and ﬁdelity, despite of the presence of image processing attacks of varied types.
Scaling Vision Transformers to Gigapixel Images via Hierarchical Self-Supervised Learning

Vision Transformers (ViTs) and their multi-scale and hierarchical variations have been successful at capturing image representations but their use has been generally studied for low-resolution images (e.g. 256 × 256, 384 × 384). For gigapixel whole-slide imaging (WSI) in computational pathology, WSIs can be as large as 150000 × 150000 pixels at 20 × magnification and exhibit a hierarchical structure of visual tokens across varying resolutions: from 16 × 16 images capturing individual cells, to 4096 × 4096 images characterizing interactions within the tissue microenvironment. We introduce a new ViT architecture called the Hierarchical Image Pyramid Transformer (HIPT), which leverages the natural hierarchical structure inherent in WSIs using two levels of self-supervised learning to learn high-resolution image representations. HIPT is pretrained across 33 cancer types using 10,678 gigapixel WSIs, 408,218 4096 × 4096 images, and 104M 256 × 256 images. We benchmark HIPT representations on 9 slide-level tasks, and demonstrate that: 1) HIPT with hierarchical pretraining outperforms current state-of-the-art methods for cancer subtyping and survival prediction, 2) self-supervised ViTs are able to model important inductive biases about the hierarchical structure of phenotypes in the tumor microenvironment.
Evaluation of twisted Gaussian Schell model beams produced with phase randomized coherent fields

The twisted Gaussian Schell Model describes a family of partially coherent beams that present several interesting characteristics, and as such have attracted attention in classical and quantum optics. Recent techniques have been demonstrated to synthesize these beams from a coherent source using a discrete set of ‘pseudo-modes’, where the phase of each mode is randomized so that they are mutually incoherent. Here we investigate this technique and evaluate the resulting beam parameters, such as divergence, coherence length and twist phase. We show that for a finite set of modes there is also some residual coherence, which can have an observable effect. A theoretical model is developed for the output field that includes residual coherence and agrees very well with experimental data. In addition, we demonstrate a simple method to measure the twist phase using double slit interference.
Risk-Sensitive Reinforcement Learning: Iterated CVaR and the Worst Path

In this paper, we study a novel episodic risk-sensitive Reinforcement Learning (RL) problem, named Iterated CVaR RL, where the objective is to maximize the tail of the reward-to-go at each step. Different from existing risk-aware RL formulations, Iterated CVaR RL focuses on safety-at-all-time , by enabling the agent to tightly control the risk of getting into catastrophic situations at each stage, and is applicable to important risk-sensitive tasks that demand strong safety guarantees throughout the decision process, such as autonomous driving, clinical treatment planning and robotics. We investigate Iterated CVaR RL with two performance metrics, i.e., Regret Minimization and Best Policy Identiﬁcation. For both metrics, we design efﬁcient algorithms ICVaR - RM and ICVaR - BPI , respectively, and provide matching upper and lower bounds with respect to the number of episodes K . We also investigate an interesting limiting case of Iterated CVaR RL, called Worst Path RL, where the objective becomes to maximize the minimum possible cumulative reward, and propose an efﬁcient algorithm with constant upper and lower bounds. Finally, the techniques we develop for bounding the change of CVaR due to the value function shift and decomposing the regret via a distorted visitation distribution are novel and can ﬁnd applications in other risk-sensitive online learning problems.
GenSDF: Two-Stage Learning of Generalizable Signed Distance Functions

We investigate the generalization capabilities of neural signed distance functions (SDFs) for learning 3D object representations for unseen and unlabeled point clouds. Existing methods can fit SDFs to a handful of object classes and boast fine detail or fast inference speeds, but do not generalize well to unseen shapes. We introduce a two-stage semi-supervised meta-learning approach that transfers shape priors from labeled to unlabeled data to reconstruct unseen object categories. The first stage uses an episodic training scheme to simulate training on unlabeled data and meta-learns initial shape priors. The second stage then introduces unlabeled data with disjoint classes in a semi-supervised scheme to diversify these priors and achieve generalization. We assess our method on both synthetic data and real collected point clouds. Experimental results and analysis validate that our approach outperforms existing neural SDF methods and is capable of robust zero-shot inference on 100+ unseen classes. Code can be found at https://github.com/princeton-computational-imaging/gensdf.
Nonlinear beam self-maintaining effect in graded-index multimode fiber

Multimode fiber systems are desirable for industrial and scientific applications. As an interesting effect for the laser beam propagation in a multimode fiber, nonlinear Kerr beam cleanup has attracted considerable research interest due to the spatial beam compressing. However, its physical mechanisms, especially the influences of input conditions on its performances, remain unclear. Here, we report a new self-organized regime for the multimode beam propagation in a graded-index multimode fiber: when the input laser has a dominant mode in which most of the laser energy is concentrated, the beam profile can be maintaining in a well-defined structure similar to the input dominant mode in nonlinear regime, while it will evolve to an irregular pattern in linear regime. The existence and universality of this nonlinear beam self-maintaining effect have been verified by the experimental and numerical data. Our results also provide evidence that nonlinear Kerr effects can be the driving mechanism and nonlinear Kerr beam cleanup is a specific case of this effect. Further research into this spatial beam shaping effect may provide a new perspective to understand other multimode fiber nonlinearities.
Learning Robust Representations Of Generative Models Using Set-Based Artificial Fingerprints

With recent progress in deep generative models, the problem of identifying synthetic data and comparing their underlying generative processes has become an imperative task for various reasons, including fighting visual misinformation and source attribution. Existing methods often approximate the distance between the models via their sample distributions. In this paper, we approach the problem of fingerprinting generative models by learning representations that encode the residual artifacts left by the generative models as unique signals that identify the source models. We consider these unique traces (a.k.a."artificial fingerprints") as representations of generative models, and demonstrate their usefulness in both the discriminative task of source attribution and the unsupervised task of defining a similarity between the underlying models. We first extend the existing studies on fingerprints of GANs to four representative classes of generative models (VAEs, Flows, GANs and score-based models), and demonstrate their existence and attributability. We then improve the stability and attributability of the fingerprints by proposing a new learning method based on set-encoding and contrastive training. Our set-encoder, unlike existing methods that operate on individual images, learns fingerprints from a \textit{set} of images. We demonstrate improvements in the stability and attributability through comparisons to state-of-the-art fingerprint methods and ablation studies. Further, our method employs contrastive training to learn an implicit similarity between models. We discover latent families of generative models using this metric in a standard hierarchical clustering algorithm.
The Neural Covariance SDE: Shaped Infinite Depth-and-Width Networks at Initialization

The logit outputs of a feedforward neural network at initialization are conditionally Gaussian, given a random covariance matrix defined by the penultimate layer. In this work, we study the distribution of this random matrix. Recent work has shown that shaping the activation function as network depth grows large is necessary for this covariance matrix to be non-degenerate. However, the current infinite-width-style understanding of this shaping method is unsatisfactory for large depth: infinite-width analyses ignore the microscopic fluctuations from layer to layer, but these fluctuations accumulate over many layers. To overcome this shortcoming, we study the random covariance matrix in the shaped infinite-depth-and-width limit. We identify the precise scaling of the activation function necessary to arrive at a non-trivial limit, and show that the random covariance matrix is governed by a stochastic differential equation (SDE) that we call the Neural Covariance SDE. Using simulations, we show that the SDE closely matches the distribution of the random covariance matrix of finite networks. Additionally, we recover an if-and-only-if condition for exploding and vanishing norms of large shaped networks based on the activation function.
Free knots and groups

Free knots are a simplification of virtual knots obtained by forgetting arrow/sign information at classical crossings. First non-trivial examples of free knots were constructed recently by the second named author. By using parity considerations, we construct invariants of free knots valued in certain groups. These groups have a simple combinatorial description, the first one being the infinite dihedral group.