Aligning diffusion model outputs with downstream objectives is essential for improving task-specific performance. Broadly, inference-time training-free approaches for aligning diffusion models can be categorized into two main strategies: sampling-based methods, which explore multiple candidate outputs and select those with higher reward signals, and gradient-guided methods, which use differentiable reward approximations to directly steer the generation process. In this work, we propose a universal algorithm, CoDeX, which brings together the strengths of blockwise sampling and gradient-based guidance into a unified framework. Building on the blockwise sampling paradigm of CoDe, CoDeX integrates local gradient signals during sampling, thereby addressing the sampling inefficiency inherent in complex reward-based sampling approaches like CoDe. At the same time, it overcomes the limited applicability of traditional gradient-guided methods, which often struggle with non-differentiable rewards. By cohesively combining these two paradigms, CoDeX enables more efficient sampling while offering better trade-offs between reward alignment and divergence from the diffusion unconditional prior. Empirical results demonstrate that CoDeX consistently outperforms CoDe and remains competitive with state-of-the-art baselines across a range of tasks.

Text-to-image (T2I) diffusion models have achieved remarkable image quality but still struggle to produce images that align with the compositional information from the input text prompt, especially when it comes to spatial cues. We attribute this limitation to two key factors: the lack of clear fine-grained spatial supervision in common training datasets, and the inability of the CLIP text encoder, used in the pretraining of stable diffusion models, to represent spatial semantics. While recent work has addressed object omission and attribute mismatches, accurately generating objects in the spatial locations defined in the text prompt remains an open challenge. Prior solutions typically rely on fine-tuning, which introduces computational overhead and risks degrading the pretrained model’s generative prior on other tasks unrelated to spatial reasoning. In this paper, we introduce InfSplign, a simple and training-free method that improves spatial understanding in T2I diffusion models. InfSplign leverages attention maps and a centroid-based loss to guide object placement during sampling at inference time without modifying the pretrained model. Our approach is modular, lightweight and compatible with any pretrained diffusion model. InfSplign achieves strong performance on spatial benchmarks such as VISOR, T2I-CompBench and GenEval, outperforming baselines in many scenarios.

Proteins are fundamental biological macromolecules essential for cellular structure, enzymatic catalysis, and immune defense, making the generation of novel proteins crucial for advancements in medicine, biotechnology, and material sciences. This study explores protein design using deep generative models, specifically Denoising Diffusion Probabilistic Models (DDPMs). While traditional methods often focus on either protein structure or sequence design independently, recent trends emphasize a co-design approach addressing both aspects simultaneously. We propose a novel methodology utilizing Equivariant Graph Neural Networks (EGNNs) within the diffusion framework to co-design protein structures and sequences. We modify the EGNN architecture to improve its effectiveness in learning intricate data patterns. Experimental results show that our approach effectively generates high-quality protein sequences, although challenges remain in producing plausible protein backbones and ensuring strong sequence-structure correlation.

Masked Autoencoders (MAEs) represent a significant shift in self-supervised learning (SSL) due to their independence from augmentation techniques for generating positive (and/or negative) pairs as in contrastive frameworks. Their masking and reconstruction strategy also aligns well with SSL approaches in natural language processing. Most MAEs are built upon Transformer-based architectures where visual features are not regularized as opposed to their convolutional neural network (CNN) based counterparts, which can potentially limit their effectiveness. To address this, we introduce a novel batch-wide layer-wise regularization loss applied to representations of different Transformer layers. We demonstrate that by plugging in the proposed regularization loss, one can significantly improve the performance of MAE-based baselines.

The Deep Neural Network (DNN) has become a widely popular machine learning architecture thanks to its ability to learn complex behaviors from data. Standard learning strategies for DNNs however rely on the availability of large, labeled datasets. Self-Supervised Learning (SSL) is a style of learning that allows models to also use unlabeled data for training, which is typically much more abundant.
SSL is being applied many different data domains such as images and natural language. One such a domain is the domain of graph data. A graph is a data structure describing a network of nodes connected by edges. Graphs are a natural way of presenting many forms of data such as molecules, social networks, and 3D meshes.
The style of SSL that has found the most success on graphs is Contrastive Learning (CL). In CL, an encoder is trained to produce semantically rich representations from unlabeled input data by smartly separating task-relevant information in the input from task-irrelevant information. The encoder backbone most commonly used for Graph Contrastive Learning (GCL) is the Graph Convolutional Neural Network (GCNN).
While GCNNs are the state of the art on many graph data tasks, they suffer from underfitting when made too deep. This is especially a problem for GCL as it prevents encoder complexity to scale with the large availability of unlabeled data.
In this thesis, we investigate this underfitting behavior through the lens of GCNN stability. Stability refers to a model's ability to continue producing consistent outputs, even when its inputs are perturbed slightly. Theoretical work has shown that stability guarantees for GCNNs weaken when their complexity is increased. We confirm experimentally that, in many cases, GCNNs indeed grow less stable when made more complex. This a relevant finding given that learning stable representations is a prerequisite to CL. Additionally, we show in our experiments that, even when trained using CL, stability discrepancies between different GCNN architectures do not disappear. This, in turn, suggests that GCNN architectures with poorer stability may also produce poorer representations. We confirm experimentally that, on at least one dataset, poor stability as a result of architectural complexity can indeed be correlated to a degradation in representation quality.
With this result we provide an additional explanation as to why deeper GCNNs are often found to perform worse in GCL settings. These insights can, in turn, motivate the design of model architectures for GCL that do not suffer from this trade-off between complexity and representation quality.

There exists a fundamental gap between human and artificial intelligence. Deep learning models are exceedingly data hungry for learning even the simplest of tasks, whereas humans can easily adapt to new tasks with just a handful of samples. Unsupervised few-shot learning (U-FSL) aspires to bridge this gap, without relying on costly annotations. Inspired by the efficiency of contrastive representation learning, we propose a novel batch enhanced contrastive U-FSL pretraining methodology (coined as BECLR) to infuse instance- and class-level insights
within a contrastive framework. To enable the sampling of meaningful positives, we introduce an innovative dynamic clustered memory module (DyCE), which maintains highly-separable latent space partitions, through iterative equipartitioned updates. We also propose an effective, optimal transport (OT)-based feature alignment strategy (OpTA), to address sample bias in the U-FSL inference stage and further boost the end-to-end performance of BECLR in low-shot settings. Our extensive experimental evaluation corroborates the efficacy of our design choices
in BECLR, which sets a new state-of-the-art on the most widely adopted U-FSL benchmarks miniImageNet and tieredImageNet (offering up to 14% and 12% improvements, respectively), as well as on challenging cross-domain scenarios.

Current methods in Federated and Decentralized learning presume that all clients share the same model architecture, assuming model homogeneity. However, in practice, this assumption may not always hold due to hardware differences. While prior research has addressed model heterogeneity in Federated Learning, it remains unexplored in fully decentralized or peer-to-peer settings. Therefore, in this paper, we investigate a real-world yet challenging situation involving model heterogeneity in a fully decentralized context. Furthermore, we introduced a Model Agnostic Peer-to-peer Learning (MAPL) framework, which allows simultaneous learning of heterogeneous personalized models. Additionally, we define a graph learning objective to infer optimal collaboration weights based on task similarity. Experiments reveal that even in this challenging scenario, MAPL delivers competitive results while being communication efficient owing to the sparse collaboration graph in both model homogeneous and heterogeneous settings.

A primary trait of humans is the ability to learn rich representations and relationships between entities from just a handful of examples without much guidance. Unsupervised few-shot learning is an undertaking aimed at reducing this fundamental gap between smart human adaptability and machines. We present a contrastive learning scheme for unsupervised few-shot classification, where we supplement a convolutional network’s strong inductive prior with a self-attention based message passing neural network to exploit intra-batch relations between images. We also show that an optimal-transport (OT) based task-awareness algorithm generates task-representative prototypes that lead to more accurate classification and aid in elevating the robustness of pre-trained models. We show that our approach (SAMPTransfer) offers appreciable performance improvements over its competitors in both in/cross-domain few shot classification scenarios, setting new standards in the miniImagenet, tieredImagenet and CDFSL benchmarks.

The versatility to learn from a handful of samples is the hallmark of human intelligence. Few-shot learning is an endeavour to transcend this capability down to machines. Inspired by the promise and power of probabilistic deep learning, we propose a novel variational inference network for few-shot classification (coined as TRIDENT) to decouple the representation of an image into semantic and label latent variables, and simultaneously infer them in an intertwined fashion. To induce task-awareness, as part of the inference mechanics of TRIDENT, we exploit information across both query and support images of a few-shot task using a novel built-in attention-based transductive feature extraction module (we call AttFEX). Our extensive experimental results corroborate the efficacy of TRIDENT and demonstrate that, using the simplest of backbones, it sets a new state-of-the-art in the most commonly adopted datasets miniImageNet and tieredImageNet (offering up to 4% and 5% improvements, respectively), as well as for the recent challenging cross-domain miniImagenet --> CUB scenario offering a significant margin (up to 20% improvement) beyond the best existing cross-domain baselines.

Binary Neural Networks (BNNs) are receiving an upsurge of attention for bringing power-hungry deep learning towards edge devices. The traditional wisdom in this space is to employ sign(.) for binarizing featuremaps. We argue and illustrate that sign(.) is a uniqueness bottleneck, limiting information propagation throughout the network. To alleviate this, we propose to dispense sign(.), replacing it with a learnable activation binarizer (LAB), allowing the network to learn a fine-grained binarization kernel per layer - as opposed to global thresholding. LAB is a novel universal module that can seamlessly be integrated into existing architectures. To confirm this, we plug it into four seminal BNNs and show a considerable performance boost at the cost of tolerable increase in delay and complexity. Finally, we build an end-to-end BNN (coined as LAB-BNN) around LAB, and demonstrate that it achieves competitive performance on par with the state-of-the-art on ImageNet