Quantifying Logical Consistency in Transformers via Query-Key Alignment

Large language models (LLMs) have demonstrated impressive performance in various natural language processing tasks, yet their ability to perform multi-step logical reasoning remains an open challenge. Although Chain-of-Thought prompting has improved logical reasoning by enabling models to generate intermediate steps, it lacks mechanisms to assess the coherence of these logical transitions. In this paper, we propose a novel, lightweight evaluation strategy for logical reasoning that uses query-key alignments inside transformer attention heads. By computing a single forward pass and extracting a "QK-score" from carefully chosen heads, our method reveals latent representations that reliably separate valid from invalid inferences, offering a scalable alternative to traditional ablation-based techniques. We also provide an empirical validation on multiple logical reasoning benchmarks, demonstrating improved robustness of our evaluation method against distractors and increased reasoning depth. The experiments were conducted on a diverse set of models, ranging from 1.5B to 70B parameters.

Investigating the Impact of Quantization Methods on the Safety and Reliability of Large Language Models

Large Language Models (LLMs) have emerged as powerful tools for addressing modern challenges and enabling practical applications. However, their computational expense remains a significant barrier to widespread adoption. Quantization has emerged as a promising technique to democratize access and enable low resource device deployment. Despite these advancements, the safety and trustworthiness of quantized models remain underexplored, as prior studies often overlook contemporary architectures and rely on overly simplistic benchmarks and evaluations. To address this gap, we introduce OpenSafetyMini, a novel open-ended safety dataset designed to better distinguish between models. We evaluate 4 state-of-the-art quantization techniques across LLaMA and Mistral models using 4 benchmarks, including human evaluations. Our findings reveal that the optimal quantization method varies for 4-bit precision, while vector quantization techniques deliver the best safety and trustworthiness performance at 2-bit precision, providing foundation for future research.

InfoBridge: Mutual Information estimation via Bridge Matching

Diffusion bridge models have recently become a powerful tool in the field of generative modeling. In this work, we leverage their power to address another important problem in machine learning and information theory - the estimation of the mutual information (MI) between two random variables. We show that by using the theory of diffusion bridges, one can construct an unbiased estimator for data posing difficulties for conventional MI estimators. We showcase the performance of our estimator on a series of standard MI estimation benchmarks.

A Statistical Learning Perspective on Semi-dual Adversarial Neural Optimal Transport Solvers

Neural network based Optimal Transport (OT) is a recent and fruitful direction in the generative modeling community. It finds its applications in various fields such as domain translation, image super-resolution, computational biology and others. Among the existing approaches to OT, of considerable interest are adversarial minimax solvers based on semi-dual formulations of OT problems. While promising, these methods lack theoretical investigation from a statistical learning perspective. Our work fills this gap by establishing upper bounds on the generalization error of an approximate OT map recovered by the minimax quadratic OT solver. Importantly, the bounds we derive depend solely on some standard statistical and mathematical properties of the considered functional classes (neural networks). While our analysis focuses on the quadratic OT, we believe that similar bounds could be derived for more general OT formulations, paving the promising direction for future research.

Inverse Bridge Matching Distillation

Learning diffusion bridge models is easy; making them fast and practical is an art. Diffusion bridge models (DBMs) are a promising extension of diffusion models for applications in image-to-image translation. However, like many modern diffusion and flow models, DBMs suffer from the problem of slow inference. To address it, we propose a novel distillation technique based on the inverse bridge matching formulation and derive the tractable objective to solve it in practice. Unlike previously developed DBM distillation techniques, the proposed method can distill both conditional and unconditional types of DBMs, distill models in a one-step generator, and use only the corrupted images for training. We evaluate our approach for both conditional and unconditional types of bridge matching on a wide set of setups, including super-resolution, JPEG restoration, sketch-to-image, and other tasks, and show that our distillation technique allows us to accelerate the inference of DBMs from 4x to 100x and even provide better generation quality than used teacher model depending on particular setup.

On the practical applicability of modern DFT functionals for chemical computations. Case study of DM21 applicability for geometry optimization

Density functional theory (DFT) is probably the most promising approach for quantum chemistry calculations considering its good balance between calculations precision and speed. In recent years, several neural network-based functionals have been developed for exchange-correlation energy approximation in DFT, DM21 developed by Google Deepmind being the most notable between them. This study focuses on evaluating the efficiency of DM21 functional in predicting molecular geometries, with a focus on the influence of oscillatory behavior in neural network exchange-correlation functionals. We implemented geometry optimization in PySCF for the DM21 functional in geometry optimization problem, compared its performance with traditional functionals, and tested it on various benchmarks. Our findings reveal both the potential and the current challenges of using neural network functionals for geometry optimization in DFT. We propose a solution extending the practical applicability of such functionals and allowing to model new substances with their help.

Online Algorithm for Aggregating Experts' Predictions with Unbounded Quadratic Loss

We consider the problem of online aggregation of expert predictions with the quadratic loss function. We propose an algorithm for aggregating expert predictions which does not require a prior knowledge of the upper bound on the losses. The algorithm is based on the exponential reweighing of expert losses.

T-3DGS: Removing Transient Objects for 3D Scene Reconstruction

We propose a novel framework to remove transient objects from input videos for 3D scene reconstruction using Gaussian Splatting. Our framework consists of the following steps. In the first step, we propose an unsupervised training strategy for a classification network to distinguish between transient objects and static scene parts based on their different training behavior inside the 3D Gaussian Splatting reconstruction. In the second step, we improve the boundary quality and stability of the detected transients by combining our results from the first step with an off-the-shelf segmentation method. We also propose a simple and effective strategy to track objects in the input video forward and backward in time. Our results show an improvement over the current state of the art in existing sparsely captured datasets and significant improvements in a newly proposed densely captured (video) dataset. More results and code are available at https://transient-3dgs.github.io.

Rethinking Optimal Transport in Offline Reinforcement Learning

We propose a novel algorithm for offline reinforcement learning using optimal transport. Typically, in offline reinforcement learning, the data is provided by various experts and some of them can be sub-optimal. To extract an efficient policy, it is necessary to \emph{stitch} the best behaviors from the dataset. To address this problem, we rethink offline reinforcement learning as an optimal transportation problem. And based on this, we present an algorithm that aims to find a policy that maps states to a \emph{partial} distribution of the best expert actions for each given state. We evaluate the performance of our algorithm on continuous control problems from the D4RL suite and demonstrate improvements over existing methods.

EBES: Easy Benchmarking for Event Sequences

Event sequences, characterized by irregular sampling intervals and a mix of categorical and numerical features, are common data structures in various real-world domains such as healthcare, finance, and user interaction logs. Despite advances in temporal data modeling techniques, there is no standardized benchmarks for evaluating their performance on event sequences. This complicates result comparison across different papers due to varying evaluation protocols, potentially misleading progress in this field. We introduce EBES, a comprehensive benchmarking tool with standardized evaluation scenarios and protocols, focusing on regression and classification problems with sequence-level targets. Our library simplifies benchmarking, dataset addition, and method integration through a unified interface. It includes a novel synthetic dataset and provides preprocessed real-world datasets, including the largest publicly available banking dataset. Our results provide an in-depth analysis of datasets, identifying some as unsuitable for model comparison. We investigate the importance of modeling temporal and sequential components, as well as the robustness and scaling properties of the models. These findings highlight potential directions for future research. Our benchmark aim is to facilitate reproducible research, expediting progress and increasing real-world impacts.