Measurement-aligned Flow for Inverse Problem

Diffusion models provide a powerful way to incorporate complex prior information for solving inverse problems. However, existing methods struggle to correctly incorporate guidance from conflicting signals in the prior and measurement, especially in the challenging setting of non-Gaussian or unknown noise. To bridge these gaps, we propose Measurement-Aligned Sampling (MAS), a novel framework for linear inverse problem solving that can more flexibly balance prior and measurement information. MAS unifies and extends existing approaches like DDNM and DAPS, and offers a new optimization perspective. MAS can generalize to handle known Gaussian noise, unknown or non-Gaussian noise types. Extensive experiments show that MAS consistently outperforms state-of-the-art methods across a range of tasks.

AbFlowNet: Optimizing Antibody-Antigen Binding Energy via Diffusion-GFlowNet Fusion

Complementarity Determining Regions (CDRs) are critical segments of an antibody that facilitate binding to specific antigens. Current computational methods for CDR design utilize reconstruction losses and do not jointly optimize binding energy, a crucial metric for antibody efficacy. Rather, binding energy optimization is done through computationally expensive Online Reinforcement Learning (RL) pipelines rely heavily on unreliable binding energy estimators. In this paper, we propose AbFlowNet, a novel generative framework that integrates GFlowNet with Diffusion models. By framing each diffusion step as a state in the GFlowNet framework, AbFlowNet jointly optimizes standard diffusion losses and binding energy by directly incorporating energy signals into the training process, thereby unifying diffusion and reward optimization in a single procedure. Experimental results show that AbFlowNet outperforms the base diffusion model by 3.06% in amino acid recovery, 20.40% in geometric reconstruction (RMSD), and 3.60% in binding energy improvement ratio. ABFlowNet also decreases Top-1 total energy and binding energy errors by 24.8% and 38.1% without pseudo-labeling the test dataset or using computationally expensive online RL regimes.

Diffusion Bridge Models for 3D Medical Image Translation

Diffusion tensor imaging (DTI) provides crucial insights into the microstructure of the human brain, but it can be time-consuming to acquire compared to more readily available T1-weighted (T1w) magnetic resonance imaging (MRI). To address this challenge, we propose a diffusion bridge model for 3D brain image translation between T1w MRI and DTI modalities. Our model learns to generate high-quality DTI fractional anisotropy (FA) images from T1w images and vice versa, enabling cross-modality data augmentation and reducing the need for extensive DTI acquisition. We evaluate our approach using perceptual similarity, pixel-level agreement, and distributional consistency metrics, demonstrating strong performance in capturing anatomical structures and preserving information on white matter integrity. The practical utility of the synthetic data is validated through sex classification and Alzheimer's disease classification tasks, where the generated images achieve comparable performance to real data. Our diffusion bridge model offers a promising solution for improving neuroimaging datasets and supporting clinical decision-making, with the potential to significantly impact neuroimaging research and clinical practice.

KG-LLM-Bench: A Scalable Benchmark for Evaluating LLM Reasoning on Textualized Knowledge Graphs

Knowledge graphs have emerged as a popular method for injecting up-to-date, factual knowledge into large language models (LLMs). This is typically achieved by converting the knowledge graph into text that the LLM can process in context. While multiple methods of encoding knowledge graphs have been proposed, the impact of this textualization process on LLM performance remains under-explored. We introduce KG-LLM-Bench, a comprehensive and extensible benchmark spanning five knowledge graph understanding tasks, and evaluate how different encoding strategies affect performance across various base models. Our extensive experiments with seven language models and five textualization strategies provide insights for optimizing LLM performance on KG reasoning tasks.

Making Sense Of Distributed Representations With Activation Spectroscopy

In the study of neural network interpretability, there is growing evidence to suggest that relevant features are encoded across many neurons in a distributed fashion. Making sense of these distributed representations without knowledge of the network's encoding strategy is a combinatorial task that is not guaranteed to be tractable. This work explores one feasible path to both detecting and tracing the joint influence of neurons in a distributed representation. We term this approach Activation Spectroscopy (ActSpec), owing to its analysis of the pseudo-Boolean Fourier spectrum defined over the activation patterns of a network layer. The sub-network defined between a given layer and an output logit is cast as a special class of pseudo-Boolean function. The contributions of each subset of neurons in the specified layer can be quantified through the function's Fourier coefficients. We propose a combinatorial optimization procedure to search for Fourier coefficients that are simultaneously high-valued, and non-redundant. This procedure can be viewed as an extension of the Goldreich-Levin algorithm which incorporates additional problem-specific constraints. The resulting coefficients specify a collection of subsets, which are used to test the degree to which a representation is distributed. We verify our approach in a number of synthetic settings and compare against existing interpretability benchmarks. We conclude with a number of experimental evaluations on an MNIST classifier, and a transformer-based network for sentiment analysis.

Learning Morphisms with Gauss-Newton Approximation for Growing Networks

A popular method for Neural Architecture Search (NAS) is based on growing networks via small local changes to the network's architecture called network morphisms. These methods start with a small seed network and progressively grow the network by adding new neurons in an automated way. However, it remains a challenge to efficiently determine which parts of the network are best to grow. Here we propose a NAS method for growing a network by using a Gauss-Newton approximation of the loss function to efficiently learn and evaluate candidate network morphisms. We compare our method with state of the art NAS methods for CIFAR-10 and CIFAR-100 classification tasks, and conclude our method learns similar quality or better architectures at a smaller computational cost.

Your Diffusion Model is Secretly a Noise Classifier and Benefits from Contrastive Training

Diffusion models learn to denoise data and the trained denoiser is then used to generate new samples from the data distribution. In this paper, we revisit the diffusion sampling process and identify a fundamental cause of sample quality degradation: the denoiser is poorly estimated in regions that are far Outside Of the training Distribution (OOD), and the sampling process inevitably evaluates in these OOD regions. This can become problematic for all sampling methods, especially when we move to parallel sampling which requires us to initialize and update the entire sample trajectory of dynamics in parallel, leading to many OOD evaluations. To address this problem, we introduce a new self-supervised training objective that differentiates the levels of noise added to a sample, leading to improved OOD denoising performance. The approach is based on our observation that diffusion models implicitly define a log-likelihood ratio that distinguishes distributions with different amounts of noise, and this expression depends on denoiser performance outside the standard training distribution. We show by diverse experiments that the proposed contrastive diffusion training is effective for both sequential and parallel settings, and it improves the performance and speed of parallel samplers significantly.

Prompt Perturbation Consistency Learning for Robust Language Models

Large language models (LLMs) have demonstrated impressive performance on a number of natural language processing tasks, such as question answering and text summarization. However, their performance on sequence labeling tasks such as intent classification and slot filling (IC-SF), which is a central component in personal assistant systems, lags significantly behind discriminative models. Furthermore, there is a lack of substantive research on the robustness of LLMs to various perturbations in the input prompts. The contributions of this paper are three-fold. First, we show that fine-tuning sufficiently large LLMs can produce IC-SF performance comparable to discriminative models. Next, we systematically analyze the performance deterioration of those fine-tuned models due to three distinct yet relevant types of input perturbations - oronyms, synonyms, and paraphrasing. Finally, we propose an efficient mitigation approach, Prompt Perturbation Consistency Learning (PPCL), which works by regularizing the divergence between losses from clean and perturbed samples. Our experiments demonstrate that PPCL can recover on average 59% and 69% of the performance drop for IC and SF tasks, respectively. Furthermore, PPCL beats the data augmentation approach while using ten times fewer augmented data samples.

Interpretable Measures of Conceptual Similarity by Complexity-Constrained Descriptive Auto-Encoding

Quantifying the degree of similarity between images is a key copyright issue for image-based machine learning. In legal doctrine however, determining the degree of similarity between works requires subjective analysis, and fact-finders (judges and juries) can demonstrate considerable variability in these subjective judgement calls. Images that are structurally similar can be deemed dissimilar, whereas images of completely different scenes can be deemed similar enough to support a claim of copying. We seek to define and compute a notion of "conceptual similarity" among images that captures high-level relations even among images that do not share repeated elements or visually similar components. The idea is to use a base multi-modal model to generate "explanations" (captions) of visual data at increasing levels of complexity. Then, similarity can be measured by the length of the caption needed to discriminate between the two images: Two highly dissimilar images can be discriminated early in their description, whereas conceptually dissimilar ones will need more detail to be distinguished. We operationalize this definition and show that it correlates with subjective (averaged human evaluation) assessment, and beats existing baselines on both image-to-image and text-to-text similarity benchmarks. Beyond just providing a number, our method also offers interpretability by pointing to the specific level of granularity of the description where the source data are differentiated.

Asymmetric Bias in Text-to-Image Generation with Adversarial Attacks

The widespread use of Text-to-Image (T2I) models in content generation requires careful examination of their safety, including their robustness to adversarial attacks. Despite extensive research into this, the reasons for their effectiveness are underexplored. This paper presents an empirical study on adversarial attacks against T2I models, focusing on analyzing factors associated with attack success rates (ASRs). We introduce a new attack objective - entity swapping using adversarial suffixes and two gradient-based attack algorithms. Human and automatic evaluations reveal the asymmetric nature of ASRs on entity swap: for example, it is easier to replace "human" with "robot" in the prompt "a human dancing in the rain." with an adversarial suffix but is significantly harder in reverse. We further propose probing metrics to establish indicative signals from the model's beliefs to the adversarial ASR. We identify conditions resulting in a 60% success probability for adversarial attacks and others where this likelihood drops below 5%.