The validation of a data-driven model is the process of asses sing the model's ability to generalize to new, unseen data in the population o f interest. This paper proposes a set of general rules for model validation. T hese rules are designed to help practitioners create reliable validation plans and report their results transparently. While no validation scheme is flawle ss, these rules can help practitioners ensure their strategy is sufficient for pr actical use, openly discuss any limitations of their validation strategy, and r eport clear, comparable performance metrics. Keywords: Validation, Cross-validation 1. Introduction Model validation is a fundamental task in all modern data-dr iven systems, whether they fall under the broad categories of Statistics, Machine Learning (ML), Artificial Intelligence (AI), or more specialized fiel ds like chemometrics. Validation has become a major focus for regulatory and stand ardization bodies, with key reports and standards highlighting the growing con cern for ensuring the trustworthiness and reliability of data-driven models: NIST AI Risk Management Framework (AI RMF 1.0, 2023): Publi shed by the U.S. Department of Commerce, this framework provides management techniques to address the risks and ensure the trustwor thiness of AI systems, with validation as a core component. The EU AI Act of 2024, landmark piece of EU legislation that c ategorizes AI systems by risk level, where validation is not defined as a b est practice but a legal requirement within the conformity assessment. The ISO/IEC TS 4213:2022, by the International Organizati on for Standardization (ISO), describes approaches and methods to ens ure the rele-Email address: josecamacho@ugr.es The IEEE P2841 -2022 is a recommended practice for the fram ework and process for deep learning evaluation.

Learning new robot tasks on new platforms and in new scenes from only a handful of demonstrations remains challenging. While videos of other embodiments - humans and different robots - are abundant, differences in embodiment, camera, and environment hinder their direct use. We address the small-data problem by introducing a unifying, symbolic representation - a compact 3D "trace-space" of scene-level trajectories - that enables learning from cross-embodiment, cross-environment, and cross-task videos. We present TraceGen, a world model that predicts future motion in trace-space rather than pixel space, abstracting away appearance while retaining the geometric structure needed for manipulation. To train TraceGen at scale, we develop TraceForge, a data pipeline that transforms heterogeneous human and robot videos into consistent 3D traces, yielding a corpus of 123K videos and 1.8M observation-trace-language triplets. Pretraining on this corpus produces a transferable 3D motion prior that adapts efficiently: with just five target robot videos, TraceGen attains 80% success across four tasks while offering 50-600x faster inference than state-of-the-art video-based world models. In the more challenging case where only five uncalibrated human demonstration videos captured on a handheld phone are available, it still reaches 67.5% success on a real robot, highlighting TraceGen's ability to adapt across embodiments without relying on object detectors or heavy pixel-space generation.

In recent years, Vision-Language-Action (VLA) models in embodied intelligence have developed rapidly. However, existing adversarial attack methods require costly end-to-end training and often generate noticeable perturbation patches. To address these limitations, we propose ADVLA, a framework that directly applies adversarial perturbations on features projected from the visual encoder into the textual feature space. ADVLA efficiently disrupts downstream action predictions under low-amplitude constraints, and attention guidance allows the perturbations to be both focused and sparse. We introduce three strategies that enhance sensitivity, enforce sparsity, and concentrate perturbations. Experiments demonstrate that under an $L_{\infty}=4/255$ constraint, ADVLA combined with Top-K masking modifies less than 10% of the patches while achieving an attack success rate of nearly 100%. The perturbations are concentrated on critical regions, remain almost imperceptible in the overall image, and a single-step iteration takes only about 0.06 seconds, significantly outperforming conventional patch-based attacks. In summary, ADVLA effectively weakens downstream action predictions of VLA models under low-amplitude and locally sparse conditions, avoiding the high training costs and conspicuous perturbations of traditional patch attacks, and demonstrates unique effectiveness and practical value for attacking VLA feature spaces.

Adversarial attacks pose a significant threat to learning-based 3D point cloud models, critically undermining their reliability in security-sensitive applications. Existing defense methods often suffer from (1) high computational overhead and (2) poor generalization ability across diverse attack types. To bridge these gaps, we propose a novel yet efficient teacher-student framework, namely Multimodal Robust Prompt Distillation (MRPD) for distilling robust 3D point cloud model. It learns lightweight prompts by aligning student point cloud model's features with robust embeddings from three distinct teachers: a vision model processing depth projections, a high-performance 3D model, and a text encoder. To ensure a reliable knowledge transfer, this distillation is guided by a confidence-gated mechanism which dynamically balances the contribution of all input modalities. Notably, since the distillation is all during the training stage, there is no additional computational cost at inference. Extensive experiments demonstrate that MRPD substantially outperforms state-of-the-art defense methods against a wide range of white-box and black-box attacks, while even achieving better performance on clean data. Our work presents a new, practical paradigm for building robust 3D vision systems by efficiently harnessing multimodal knowledge.

In an era marked by rapid technological advancements and complex global challenges, responsible foresight has emerged as an essential framework for policymakers aiming to navigate future uncertainties and shape the future. Responsible foresight entails the ethical anticipation of emerging opportunities and risks, with a focus on fostering proactive, sustainable, and accountable future design. This paper coins the term "responsible computational foresight", examining the role of human-centric artificial intelligence and computational modeling in advancing responsible foresight, establishing a set of foundational principles for this new field and presenting a suite of AI-driven foresight tools currently shaping it. AI, particularly in conjunction with simulations and scenario analysis, enhances policymakers' ability to address uncertainty, evaluate risks, and devise strategies geared toward sustainable, resilient futures. However, responsible foresight extends beyond mere technical forecasting; it demands a nuanced understanding of the interdependencies within social, environmental, economic and political systems, alongside a commitment to ethical, long-term decision-making that supports human intelligence. We argue that AI will play a role as a supportive tool in responsible, human-centered foresight, complementing rather than substituting policymaker judgment to enable the proactive shaping of resilient and ethically sound futures. This paper advocates for the thoughtful integration of AI into foresight practices to empower policymakers and communities as they confront the grand challenges of the 21st century.

Deep research models perform multi-step research to produce long-form, well-attributed answers. However, most open deep research models are trained on easily verifiable short-form QA tasks via reinforcement learning with verifiable rewards (RLVR), which does not extend to realistic long-form tasks. We address this with Reinforcement Learning with Evolving Rubrics (RLER), in which we construct and maintain rubrics that co-evolve with the policy model during training; this allows the rubrics to incorporate information that the model has newly explored and to provide discriminative, on-policy feedback. Using RLER, we develop Deep Research Tulu (DR Tulu-8B), the first open model that is directly trained for open-ended, long-form deep research. Across four long-form deep research benchmarks in science, healthcare and general domains, DR Tulu substantially outperforms existing open deep research models, and matches or exceeds proprietary deep research systems, while being significantly smaller and cheaper per query. To facilitate future research, we release all data, models, and code, including our new MCP-based agent infrastructure for deep research systems.

Diffusion models have emerged as a leading framework in generative modeling, poised to transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two principal therapeutic modalities: small molecules and therapeutic peptides. We dissect how the unified framework of iterative denoising is adapted to the distinct molecular representations, chemical spaces, and design objectives of each modality. For small molecules, these models excel at structure-based design, generating novel, pocket-fitting ligands with desired physicochemical properties, yet face the critical hurdle of ensuring chemical synthesizability. Conversely, for therapeutic peptides, the focus shifts to generating functional sequences and designing de novo structures, where the primary challenges are achieving biological stability against proteolysis, ensuring proper folding, and minimizing immunogenicity. Despite these distinct challenges, both domains face shared hurdles: the scarcity of high-quality experimental data, the reliance on inaccurate scoring functions for validation, and the crucial need for experimental validation. We conclude that the full potential of diffusion models will be unlocked by bridging these modality-specific gaps and integrating them into automated, closed-loop Design-Build-Test-Learn (DBTL) platforms, thereby shifting the paradigm from mere chemical exploration to the on-demand engineering of novel~therapeutics.

Efficient nutrient management is critical for crop growth and sustainable resource consumption (e.g., nitrogen, energy). Current approaches require lengthy analyses, preventing real-time optimization; similarly, imaging facilitates rapid phenotyping but can be computationally intensive, preventing deployment under resource constraints. This study proposes a flexible, tiered pipeline for anomaly detection and status estimation (fresh weight, dry mass, and tissue nutrients), including a comprehensive energy analysis of approaches that span the efficiency-accuracy spectrum. Using a nutrient depletion experiment with three treatments (T1-100%, T2-50%, and T3-25% fertilizer strength) and multispectral imaging (MSI), we developed a hierarchical pipeline using an autoencoder (AE) for early warning. Further, we compared two status estimation modules of different complexity for more detailed analysis: vegetation index (VI) features with machine learning (Random Forest, RF) and raw whole-image deep learning (Vision Transformer, ViT). Results demonstrated high-efficiency anomaly detection (73% net detection of T3 samples 9 days after transplanting) at substantially lower energy than embodied energy in wasted nitrogen. The state estimation modules show trade-offs, with ViT outperforming RF on phosphorus and calcium estimation (R2 0.61 vs. 0.58, 0.48 vs. 0.35) at higher energy cost. With our modular pipeline, this work opens opportunities for edge diagnostics and practical opportunities for agricultural sustainability.

We study the problem of computing an optimal large language model (LLM) policy for the constrained alignment problem, where the goal is to maximize a primary reward objective while satisfying constraints on secondary utilities. Despite the popularity of Lagrangian-based LLM policy search in constrained alignment, iterative primal-dual methods often fail to converge, and non-iterative dual-based methods do not achieve optimality in the LLM parameter space. To address these challenges, we employ Lagrangian duality to develop an iterative dual-based alignment method that alternates between updating the LLM policy via Lagrangian maximization and updating the dual variable via dual descent. In theory, we characterize the primal-dual gap between the primal value in the distribution space and the dual value in the LLM parameter space. We further quantify the optimality gap of the learned LLM policies at near-optimal dual variables with respect to both the objective and the constraint functions. These results prove that dual-based alignment methods can find an optimal constrained LLM policy, up to an LLM parametrization gap. We demonstrate the effectiveness and merits of our approach through extensive experiments conducted on the PKU-SafeRLHF and Anthropic HH-RLHF datasets.

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of software development. For its part, HPC software is recognized as a highly specialized scientific field of its own. We discuss the challenges associated with leveraging state-of-the-art AI technologies to develop such a unique and niche class of software and outline our research directions in the two US Department of Energy--funded projects for advancing HPC Software via AI: Ellora and Durban.