News & Research

arXiv:2507.11486v2 Announce Type: replace Abstract: Tractography algorithms leverage diffusion MRI to reconstruct the fibrous architecture of the brain's white matter. Among machine learning approaches, reinforcement learning (RL) has emerged as a promising framework for tractography, outperforming traditional methods in several key aspects. TractOracle-RL, a recent RL-based approach, reduces false positives by incorporating anatomical priors into the training process via a reward-based mechanism. In this paper, we investigate four extensions of the original TractOracle-RL framework by integrating recent advances in RL, and we evaluate their performance across five diverse diffusion MRI datasets. Results demonstrate that combining an oracle with the RL framework consistently leads to robust and reliable tractography, regardless of the specific method or dataset used. We also introduce a novel RL training scheme called Iterative Reward Training (IRT), inspired by the Reinforcement Learn

arXiv:2507.13762v4 Announce Type: replace Abstract: Motivation: Structure-based drug design (SBDD) has advanced with deep generative models, but bridging the gap between continuous atomic coordinates and discrete atom types remains a challenge. Current approaches, such as diffusion and flow matching models, often fail to unify these heterogeneous modalities, relying on separate strategies or ill-fitting Euclidean metrics for discrete variables. This lack of a consistent framework limits generative models' ability to capture the geometric and chemical structure of protein-ligand complexes. Results: We present MolPIF, a parameter interpolation flow mechanism designed to unify the generation of continuous and discrete molecular variables. Unlike traditional flow models that operate in sample space, MolPIF interpolates between distributions in the parameter space, theoretically recovering Wasserstein-2 optimal transport for continuous coordinates and establishing Fisher-Rao geodesics for d

arXiv:2509.26469v4 Announce Type: replace Abstract: Vector quantization is common in deep models, yet its hard assignments block gradients and hinder end-to-end training. We propose DiVeQ, which treats quantization as adding an error vector that mimics the quantization distortion, keeping the forward pass hard while letting gradients flow. We also present a space-filling variant (SF-DiVeQ) that assigns input to a curve constructed by the lines connecting codewords, resulting in less quantization error and full codebook usage. Both methods train end-to-end without requiring auxiliary losses or temperature schedules. In VQ-VAE image compression, VQGAN image generation, and DAC speech coding tasks across various data sets, our proposed methods improve reconstruction and sample quality over alternative quantization approaches.

arXiv:2510.08932v2 Announce Type: replace Abstract: Recently, a growing body of research has focused on either optimizing CTR model architectures to better model feature interactions or refining training objectives to aid parameter learning, thereby achieving better predictive performance. However, previous efforts have primarily focused on the training phase, largely neglecting opportunities for optimization during the inference phase. Infrequently occurring feature combinations, in particular, can degrade prediction performance, leading to unreliable or low-confidence outputs. To unlock the predictive potential of trained CTR models, we propose a Model-Agnostic Test-Time paradigm (MATT), which leverages the confidence scores of feature combinations to guide the generation of multiple inference paths, thereby mitigating the influence of low-confidence features on the final prediction. Specifically, to quantify the confidence of feature combinations, we introduce a hierarchical probabi

arXiv:2510.09405v2 Announce Type: replace Abstract: Radio frequency fingerprint identification (RFFI) is a key technique for wireless network security, leveraging intrinsic hardware imperfections to enable transmitter identification. Although deep neural networks are effective at extracting discriminative RF features, their performance is significantly affected by receiver-induced variability in practical deployments. In real-world scenarios, RF signals inherently entangle transmitter-specific characteristics with receiver-dependent distortions, leading models to capture receiver-related patterns when training and evaluation are conducted on the same device. Consequently, replacing the receiver during deployment often results in notable performance degradation. To address this issue, we propose a cross-receiver robust RFFI framework that explicitly disentangles transmitter-specific and receiver-specific representations. The proposed method integrates adversarial domain alignment with r

arXiv:2510.23486v2 Announce Type: replace Abstract: Large reasoning models (LRMs) often consume excessive tokens, inflating computational cost and latency. More broadly, in goal reaching sequential decision problems we often want to reach the goal quickly, and LRM reasoning can be viewed through this lens. We challenge the assumption that longer responses improve accuracy. By penalizing reasoning tokens using a discounted reinforcement learning setup (interpretable as a small token cost) and analyzing Blackwell optimality in restricted policy classes, we encourage concise yet accurate reasoning, analogous to preferring shorter successful trajectories in a stochastic shortest path problem. Experiments confirm our theoretical results that this approach shortens chains of thought while preserving accuracy.

arXiv:2511.17852v2 Announce Type: replace Abstract: Transformers can acquire Chain-of-Thought (CoT) capabilities to solve complex reasoning tasks through fine-tuning. Reinforcement learning (RL) and supervised fine-tuning (SFT) are two primary approaches to this end. In this work, we specifically examine RL with process rewards and SFT for learning $k$-sparse Boolean functions with a one-layer transformer through intermediate reasoning steps akin to CoT. In particular, we consider $k$-sparse Boolean functions that can be recursively decomposed into fixed 2-sparse Boolean functions. We first analyze the learning dynamics of RL fine-tuning with process reward and SFT in a unified way. This allows us to identify sufficient conditions under which the transformer provably learns these sparse Boolean functions. We then verify that these conditions hold for three basic examples, including $k$-PARITY, $k$-AND, and $k$-OR, thus demonstrating their learnability via both RL and SFT. Notably, we r

arXiv:2511.22882v3 Announce Type: replace Abstract: We introduce boundary quotients and present a framework for learning densities on manifolds that arise as boundary quotients of simpler domains. We show that this framework can be used to construct normalizing flows on quotient manifolds $N/G$, where a discrete group $G$ acts on $N$. We instantiate this construction for genus-$g$ surfaces $\Sigma_g$. When $G$ is finite, we show applicability to symmetry aware learning; we demonstrate this on cyclic quotients of the 3-sphere. Experiments on lens spaces show that simple pre-quotient RealNVP models can achieve strong results while being substantially cheaper to evaluate.

arXiv:2512.01678v5 Announce Type: replace Abstract: Graph Neural Networks (GNNs) present a fundamental hardware challenge by fusing irregular, memory-bound graph traversals with regular, compute-intensive dense matrix operations. While frameworks such as PyTorch Geometric (PyG) and Deep Graph Library (DGL) prioritize high-level usability, they fail to address these divergent execution characteristics. As a result, they rely on generic kernels that suffer from poor cache locality, excessive memory movement, and substantial intermediate allocations. To address these limitations, we present Morphling, a domain-specific code synthesizer designed to bridge this gap. Morphling compiles high-level GNN specifications into portable, backend-specialized implementations targeting OpenMP, CUDA, and MPI. It achieves this by instantiating a library of optimized, architecture-aware primitives tailored to each execution environment. Morphling also incorporates a runtime sparsity-aware execution engine

arXiv:2512.08371v4 Announce Type: replace Abstract: Datasets may contain observations with multiple labels. If the labels are not mutually exclusive, and if the labels vary greatly in frequency, obtaining a sample that includes sufficient observations with scarcer labels to make inferences about those labels, and which deviates from the population frequencies in a known manner, creates challenges. In this paper, we consider a multivariate Bernoulli distribution as our underlying distribution of a multi-label problem. We present a novel sampling algorithm that takes label dependencies into account. It uses observed label frequencies to estimate multivariate Bernoulli distribution parameters and calculates weights for each label combination. This approach ensures the weighted sampling acquires target distribution characteristics while accounting for label dependencies. We applied this approach to a variety of datasets, including a sample of research articles from Web of Science labeled w

arXiv:2512.16111v2 Announce Type: replace Abstract: Learning the structure of directed acyclic graphs (DAGs) from observational data is a central problem in causal discovery, statistical signal processing, and machine learning. Under a linear Gaussian structural equation model (SEM) with equal noise variances, the problem is identifiable and we show that the ensemble precision matrix of the observations exhibits a distinctive structure that facilitates DAG recovery. Exploiting this property, we propose BUILD (Bottom-Up Inference of Linear DAGs), a deterministic stepwise algorithm that identifies leaf nodes and their parents, then prunes the leaves by removing incident edges to proceed to the next step, exactly reconstructing the DAG from the true precision matrix. In practice, precision matrices must be estimated from finite data, and ill-conditioning may lead to error accumulation across BUILD steps. As a mitigation strategy, we periodically re-estimate the precision matrix (with less

arXiv:2512.19332v2 Announce Type: replace Abstract: We study the numerical and Boolean expressiveness of MPLang, a declarative language that captures the computation of graph neural networks (GNNs) through linear message passing and activation functions. We begin with A-MPLang, the fragment without activation functions, and give a characterization of its expressive power in terms of walk-summed features. For bounded activation functions, we show that (under mild conditions) all eventually constant activations yield the same expressive power - numerical and Boolean - and that it subsumes previously established logics for GNNs with eventually constant activation functions but without linear layers. Finally, we prove the first expressive separation between unbounded and bounded activations in the presence of linear layers: MPLang with ReLU is strictly more powerful for numerical queries than MPLang with eventually constant activation functions, e.g., truncated ReLU. This hinges on subtle

arXiv:2601.05028v2 Announce Type: replace Abstract: Equivariance is a powerful inductive bias in neural networks, improving generalisation and physical consistency. Recently, however, non-equivariant models have regained attention, due to their better runtime performance and imperfect symmetries that might arise in real-world applications. This has motivated the development of approximately equivariant models that strike a middle ground between respecting symmetries and fitting the data distribution. Existing approaches in this field usually apply sample-based regularisers which depend on data augmentation at training time, incurring a high sample complexity, in particular for continuous groups such as $SO(3)$. This work instead approaches approximate equivariance via a projection-based regulariser which leverages the orthogonal decomposition of linear layers into equivariant and non-equivariant components. In contrast to existing methods, this penalises non-equivariance at an operator

arXiv:2601.21845v2 Announce Type: replace Abstract: Meta reinforcement learning (RL) allows agents to leverage experience across a distribution of tasks on which the agent can train at will, enabling faster learning of optimal policies on new test tasks. Despite its success in improving sample complexity on test tasks, many real-world applications, such as robotics and healthcare, impose safety constraints during testing. Constrained meta RL provides a promising framework for integrating safety into meta RL. An open question in constrained meta RL is how to ensure safety of the policy on the real-world test task, while reducing the sample complexity and thus, enabling faster learning of optimal policies. To address this gap, we propose an algorithm that refines policies learned during training, with provable safety and sample complexity guarantees for learning a near optimal policy on the test tasks. We further derive a matching lower bound, showing that this sample complexity is tight

arXiv:2602.00827v2 Announce Type: replace Abstract: Feature learning strength (FLS), i.e., the inverse of the effective output scaling of a model, plays a critical role in shaping the optimization dynamics of neural nets. While its impact has been extensively studied under the asymptotic regimes -- both in training time and FLS -- existing theory offers limited insight into how FLS affects generalization in practical settings, such as when training is stopped upon reaching a target training risk. In this work, we investigate the impact of FLS on generalization in deep networks under such practical conditions. Through empirical studies, we first uncover the emergence of an $\textit{optimal FLS}$ -- neither too small nor too large -- that yields substantial generalization gains. This finding runs counter to the prevailing intuition that stronger feature learning universally improves generalization. To explain this phenomenon, we develop a theoretical analysis of gradient flow dynamics in