arXiv:2603.03342v1 Announce Type: cross Abstract: Learning robust representations of 3D shapes from voxelized data is essential for advancing AI methods in biomedical imaging. However, most contemporary 3D computer vision approaches operate on point clouds, meshes, or octrees, while volumetric density maps, the native format of structural biology and cryo-EM, remain comparatively underexplored. We present Cryo-SWAN, a voxel-based variational autoencoder inspired by multi-scale wavelet decomposition. The model performs conditional coarse-to-fine latent encoding and recursive residual quantization across perception scales, enabling accurate capture of both global geometry and high-frequency structural detail in molecular density volumes. Evaluated on ModelNet40, BuildingNet, and a newly curated dataset of cryo-EM volumes, ProteinNet3D, Cryo-SWAN consistently improves reconstruction quality over state-of-the-art 3D autoencoders. We demonstrate that the molecular densities organize in learned latent space according to shared geometric features, while integration with diffusion models enables denoising and conditional shape generation. Together, Cryo-SWAN is a practical framework for data-driven structural biology and volumetric imaging.

arXiv:2603.03371v1 Announce Type: cross Abstract: The proliferation of open-weight Large Language Models (LLMs) has democratized agentic AI, yet fine-tuned weights are frequently shared and adopted with limited scrutiny beyond leaderboard performance. This creates a risk where third-party models are incorporated without strong behavioral guarantees. In this work, we demonstrate a \textbf{novel vector for stealthy backdoor injection}: the implantation of latent malicious behavior into tool-using agents via a multi-stage Parameter-Efficient Fine-Tuning (PEFT) framework. Our method, \textbf{SFT-then-GRPO}, decouples capability injection from behavioral alignment. First, we use SFT with LoRA to implant a "sleeper agent" capability. Second, we apply Group Relative Policy Optimization (GRPO) with a specialized reward function to enforce a deceptive policy. This reinforces two behaviors: (1) \textbf{Trigger Specificity}, strictly confining execution to target conditions (e.g., Year 2026), and (2) \textbf{Operational Concealment}, where the model generates benign textual responses immediately after destructive actions. We empirically show that these poisoned models maintain state-of-the-art performance on benign tasks, incentivizing their adoption. Our findings highlight a critical failure mode in alignment, where reinforcement learning is exploited to conceal, rather than remove, catastrophic vulnerabilities. We conclude by discussing potential identification strategies, focusing on discrepancies in standard benchmarks and stochastic probing to unmask these latent threats.

arXiv:2603.03517v1 Announce Type: cross Abstract: General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning tokens does not yield significant performance gains. To address this gap, we introduce the MMAI Gym for Science, a one-stop shop molecular data formats and modalities as well as task-specific reasoning, training, and benchmarking recipes designed to teach foundation models the 'language of molecules' in order to solve practical drug discovery problems. We use MMAI Gym to train an efficient Liquid Foundation Model (LFM) for these applications, demonstrating that smaller, purpose-trained foundation models can outperform substantially larger general-purpose or specialist models on molecular benchmarks. Across essential drug discovery tasks - including molecular optimization, ADMET property prediction, retrosynthesis, drug-target activity prediction, and functional group reasoning - the resulting model achieves near specialist-level performance and, in the majority of settings, surpasses larger models, while remaining more efficient and broadly applicable in the domain.

arXiv:2603.02745v1 Announce Type: cross Abstract: Millimeter-wave (mmWave) communication systems, particularly those leveraging multi-user multiple-input and multiple-output (MU-MIMO) with hybrid beamforming, face challenges in optimizing user throughput and minimizing latency due to the high complexity of dynamic beam selection and management. This paper introduces a deep reinforcement learning (DRL) approach for enhancing user throughput in multi-panel mmWave radio access networks in a practical network setup. Our DRL-based formulation utilizes an adaptive beam management strategy that models the interaction between the communication agent and its environment as a Markov decision process (MDP), optimizing beam selection based on real-time observations. The proposed framework exploits spatial domain (SD) characteristics by incorporating the cross-correlation between the beams in different antenna panels, the measured reference signal received power (RSRP), and the beam usage statistics to dynamically adjust beamforming decisions. As a result, the spectral efficiency is improved and end-to-end latency is reduced. The numerical results demonstrate an increase in throughput of up to 16% and a reduction in latency by factors 3-7x compared to baseline (legacy beam management).

arXiv:2603.02781v1 Announce Type: cross Abstract: Advances in deep learning have enabled the widespread deployment of speaker recognition systems (SRSs), yet they remain vulnerable to score-based impersonation attacks. Existing attacks that operate directly on raw waveforms require a large number of queries due to the difficulty of optimizing in high-dimensional audio spaces. Latent-space optimization within generative models offers improved efficiency, but these latent spaces are shaped by data distribution matching and do not inherently capture speaker-discriminative geometry. As a result, optimization trajectories often fail to align with the adversarial direction needed to maximize victim scores. To address this limitation, we propose an inversion-based generative attack framework that explicitly aligns the latent space of the synthesis model with the discriminative feature space of SRSs. We first analyze the requirements of an inverse model for score-based attacks and introduce a feature-aligned inversion strategy that geometrically synchronizes latent representations with speaker embeddings. This alignment ensures that latent updates directly translate into score improvements. Moreover, it enables new attack paradigms, including subspace-projection-based attacks, which were previously infeasible due to the absence of a faithful feature-to-audio mapping. Experiments show that our method significantly improves query efficiency, achieving competitive attack success rates with on average 10x fewer queries than prior approaches. In particular, the enabled subspace-projection-based attack attains up to 91.65% success using only 50 queries. These findings establish feature-aligned inversion as a key tool for evaluating the robustness of modern SRSs against score-based impersonation threats.

arXiv:2506.01502v3 Announce Type: replace-cross Abstract: Learning population dynamics involves recovering the underlying process that governs particle evolution, given evolutionary snapshots of samples at discrete time points. Recent methods frame this as an energy minimization problem in probability space and leverage the celebrated JKO scheme for efficient time discretization. In this work, we introduce $\texttt{iJKOnet}$, an approach that combines the JKO framework with inverse optimization techniques to learn population dynamics. Our method relies on a conventional $\textit{end-to-end}$ adversarial training procedure and does not require restrictive architectural choices, e.g., input-convex neural networks. We establish theoretical guarantees for our methodology and demonstrate improved performance over prior JKO-based methods. The code of $\texttt{iJKOnet}$ is available at https://github.com/MuXauJl11110/iJKOnet.