Deep Learning
Shortcut Features as Top Eigenfunctions of NTK: ALinear Neural Network Case and More
One of the chronic problems of deep-learning models is shortcut learning. In a case where the majority of training data are dominated by a certain feature, neural networks prefer to learn such a feature even if the feature is not generalizable outside the training set. Based on the framework of Neural Tangent Kernel (NTK), we analyzed the case of linear neural networks to derive some important properties of shortcut learning. We defined a "feature" of a neural network as an eigenfunction of NTK. Then, we found that shortcut features correspond to features with larger eigenvalues when the shortcuts stem from the imbalanced number of samples in the clustered distribution. We also showed that the features with larger eigenvalues still have a large influence on the neural network output even after training, due to data variances in the clusters. Such a preference for certain features remains even when a margin of a neural network output is controlled, which shows that the max-margin bias is not the only major reason for shortcut learning. These properties of linear neural networks are empirically extended for more complex neural networks as a two-layer fully-connected ReLU network and a ResNet-18.
Wide-Horizon Thinking and Simulation-Based Evaluation for Real-World LLMPlanning with Multifaceted Constraints
Unlike reasoning, which often entails a deep sequence of deductive steps, complex real-world planning is characterized by the need to synthesize a broad spectrum of parallel and potentially conflicting information and constraints. For example, in travel planning scenarios, it requires the integration of diverse real-world information and user preferences.
Unsupervised Learning for Optimal Transport plan prediction between unbalanced graphs
Optimal transport between graphs, based on Gromov-Wasserstein and other extensions, is a powerful tool for comparing and aligning graph structures. However, solving the associated non-convex optimization problems is computationally expensive, which limits the scalability of these methods to large graphs. In this work, we present Unbalanced Learning of Optimal Transport (ULOT), a deep learning method that predicts optimal transport plans between two graphs. Our method is trained by minimizing the fused unbalanced Gromov-Wasserstein (FUGW) loss. We propose a novel neural architecture with cross-attention that is conditioned on the FUGW tradeoff hyperparameters. We evaluate ULOT on synthetic stochastic block model (SBM) graphs and on real cortical surface data obtained from fMRI. ULOT predicts transport plans with competitive loss up to two orders of magnitude faster than classical solvers. Furthermore, the predicted plan can be used as a warm start for classical solvers to accelerate their convergence. Finally, the predicted transport plan is fully differentiable with respect to the graph inputs and FUGW hyperparameters, enabling the optimization of functionals of the ULOT plan.
From Bytes to Ideas: Language Modeling with Autoregressive U-Nets
Tokenization imposes a fixed granularity on the input text, freezing how a language model operates on data and how far in the future it predicts. Byte Pair Encoding (BPE) and similar schemes split text once, build a static vocabulary, and leave the model stuck with that choice. We relax this rigidity by introducing an autoregressive U-Net that learns to embed its own tokens as it trains. The network reads raw bytes, pools them into words, then pairs of words, then up to 4 words, yielding a multi-scale representation of the sequence. At deeper stages, the model must predict further into the future -- anticipating the next few words rather than the next byte -- so deeper stages focus on broader semantic patterns while earlier stages handle fine details. When carefully tuning and controlling pretraining compute, shallow hierarchies are on par with strong BPE baselines, and deeper hierarchies exhibit a promising trend. Because tokenization now lives inside the model, the same system can handle character-level tasks and carry knowledge across low-resource languages.
Bayesian Concept Bottleneck Models with LLMPriors
Concept Bottleneck Models (CBMs) have been proposed as a compromise between white-box and black-box models, aiming to achieve interpretability without sacrificing accuracy. The standard training procedure for CBMs is to predefine a candidate set of human-interpretable concepts, extract their values from the training data, and identify a sparse subset as inputs to a transparent prediction model. However, such approaches are often hampered by the tradeoff between exploring a sufficiently large set of concepts versus controlling the cost of obtaining concept extractions, resulting in a large interpretability-accuracy tradeoff. This work investigates a novel approach that sidesteps these challenges: BC-LLM iteratively searches over a potentially infinite set of concepts within a Bayesian framework, in which Large Language Models (LLMs) serve as both a concept extraction mechanism and prior. Even though LLMs can be miscalibrated and hallucinate, we prove that BC-LLM can provide rigorous statistical inference and uncertainty quantification. Across image, text, and tabular datasets, BC-LLM outperforms interpretable baselines and even black-box models in certain settings, converges more rapidly towards relevant concepts, and is more robust to out-of-distribution samples. 1
Time-Embedded Algorithm Unrolling for Computational MRI
Algorithm unrolling methods have proven powerful for solving the regularized least squares problem in computational magnetic resonance imaging (MRI). These approaches unfold an iterative algorithm with a fixed number of iterations, typically alternating between a neural network-based proximal operator for regularization, a data fidelity operation and auxiliary updates with learnable parameters. While the connection to optimization methods dictate that the proximal operator network should be shared across unrolls, this can introduce artifacts or blurring. Heuristically, practitioners have shown that using distinct networks may be beneficial, but this significantly increases the number of learnable parameters, making it challenging to prevent overfitting. To address these shortcomings, by taking inspirations from proximal operators with varying thresholds in approximate message passing (AMP) and the success of time-embedding in diffusion models, we propose a time-embedded algorithm unrolling scheme for inverse problems. Specifically, we introduce a novel perspective on the iteration-dependent proximal operation in vector AMP (VAMP) and the subsequent Onsager correction in the context of algorithm unrolling, framing them as a time-embedded neural network. Similarly, the scalar weights in the data fidelity operation and its associated Onsager correction are cast as time-dependent learnable parameters. Our extensive experiments on the fastMRI dataset, spanning various acceleration rates and datasets, demonstrate that our method effectively reduces aliasing artifacts and mitigates noise amplification, achieving state-of-the-art performance. Furthermore, we show that our timeembedding strategy extends to existing algorithm unrolling approaches, enhancing reconstruction quality without increasing the computational complexity significantly.
GSAlign: Geometric and Semantic Alignment Network for Aerial-Ground Person Re-Identification
Aerial-Ground person re-identification (AG-ReID) is an emerging yet challenging task that aims to match pedestrian images captured from drastically different viewpoints, typically from unmanned aerial vehicles (UAVs) and ground-based surveillance cameras. The task poses significant challenges due to extreme viewpoint discrepancies, occlusions, and domain gaps between aerial and ground imagery. While prior works have made progress by learning cross-view representations, they remain limited in handling severe pose variations and spatial misalignment. To address these issues, we propose a Geometric and Semantic Alignment Network (GSAlign) tailored for AG-ReID. GSAlign introduces two key components to jointly tackle geometric distortion and semantic misalignment in aerial-ground matching: a Learnable Thin Plate Spline (LTPS) Module and a Dynamic Alignment Module (DAM). The LTPS module adaptively warps pedestrian features based on a set of learned keypoints, effectively compensating for geometric variations caused by extreme viewpoint changes.
Sparse Meets Dense: Unified Generative Recommendations with Cascaded Sparse-Dense Representations
Generative models have recently gained attention in recommendation systems by directly predicting item identifiers from user interaction sequences. However, existing methods suffer from significant information loss due to the separation of stages such as quantization and sequence modeling, hindering their ability to achieve the modeling precision and accuracy of sequential dense retrieval techniques. Integrating generative and dense retrieval methods remains a critical challenge. To address this, we introduce the Cascaded Organized Bi-Represented generAtive retrieval (COBRA) framework, which innovatively integrates sparse semantic IDs and dense vectors through a cascading process. Our method alternates between generating these representations by first generating sparse IDs, which serve as conditions to aid in the generation of dense vectors. End-to-end training enables dynamic refinement of dense representations, capturing both semantic insights and collaborative signals from user-item interactions. During inference, COBRA employs a coarse-to-fine strategy, starting with sparse ID generation and refining them into dense vectors via the generative model. We further propose BeamFusion, an innovative approach combining beam search with nearest neighbor scores to enhance inference flexibility and recommendation diversity.
Rethinking Protein Protein Interaction Prediction from Pairs to Graphs
Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability to reconstruct biologically meaningful PPI networks, which is crucial for biology research. To address this gap, we introduce PRING, the first comprehensive benchmark that evaluates PRotein-protein INteraction prediction from a Graph-level perspective. PRINGcurates a high-quality, multi-species PPI network dataset comprising 21,484 proteins and 186,818 interactions, with well-designed strategies to address both data redundancy and leakage. Building on this golden-standard dataset, we establish two complementary evaluation paradigms: (1) topologyoriented tasks, which assess intra and cross-species PPI network construction, and (2) function-oriented tasks, including protein complex pathway prediction, GO module analysis, and essential protein justification. These evaluations not only reflect the model's capability to understand the network topology but also facilitate protein function annotation, biological module detection, and even disease mechanism analysis. Extensive experiments on four representative model categories, consisting of sequence similarity-based, naive sequence-based, protein language model-based, and structure-based approaches, demonstrate that current PPI models have potential limitations in recovering both structural and functional properties of PPI networks, highlighting the gap in supporting real-world biological applications. We believe PRINGprovides a reliable platform to guide the development of more effective PPI prediction models for the community.