News & Research

arXiv:2605.25681v1 Announce Type: cross Abstract: Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability. Existing dual-target generative methods typically introduce dual-target capability by either retraining the generator or intervening in the diffusion process during sampling. The former can be costly and difficult to stabilize when dual-target supervision is sparse, while the latter may be sensitive to denoising-time target balancing and competing update directions. These limitations motivate a generator-preserving alternative that keeps the pretrained prior intact: can dual-target candidates instead be recovered from the input space of a frozen single-target diffusion model, without modifying its parameters or denoising dynamics? We formulate this task

arXiv:2604.17538v2 Announce Type: replace Abstract: Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. Developing methods that make use of first/second order information about rigid-body dynamics in the presence of contact holds great promise in terms of increasing the solution speed and computational efficiency. The main bottleneck in this research direction is the difficulty in obtaining gradients and Hessians that are actually useful for numerical optimization, due to pathologies in all three steps of a common simulation pipeline: i) collision detection, ii) contact dynamics, iii) time integration. This abstract proposes a method that aims to address the collision detection part of the puzzle, via a novel pipeline designed from scratch with smooth (i.e. twice) differentiability and massive vectorizability on GPUs as the main priorities. This is in contrast to standard collision detection routines that ar

arXiv:2605.23940v1 Announce Type: new Abstract: How do multi-turn reasoning systems fail? The expected answer is logical contradiction, in which the system's maintained state becomes unsatisfiable. We show that the dominant mode is instead satisfiable drift, where the internal state stays consistent while the returned answer silently violates prior commitments. We build DRIFT-Bench (Decomposing Reasoning Into Failure Types), a solver-instrumented benchmark of 816 test problems across three constraint domains, and evaluate four methods on it across four open-weight models (8B-120B parameters). MUS-Repair, which feeds minimal unsatisfiable subsets back to the generator, is strongest in every setting (+1.8 to +15.0 pp over the best non-MUS baseline). But the central finding is what repair leaves behind. After structured feedback, models rarely contradict themselves. They forget. Residual errors are 98-100% satisfiable drift across all settings, while contradiction drops to near zero. Reli

arXiv:2605.24841v1 Announce Type: new Abstract: Property-conditional molecular generation should produce valid, diverse molecules while responding to continuous target values at low sampling cost. We introduce DriftingMol, a two-stage framework that adapts drifting models to a SELFIES latent molecular space. A frozen SELFIES beta-VAE provides the latent space, and the hidden representation of its decoder serves as the drift feature map. In decoder-coupled drift, decoder weights remain fixed, but drift gradients are backpropagated through the decoder feature map to a DiT generator, inducing a pullback metric aligned with molecular decoding. On ZINC250K, the default setting achieves QED Spearman correlation 0.493 with 94.7% uniqueness, while the strongest decoder-coupled condition reaches 0.510. Under protocol-matched four-property conditioning, decoder-coupled drift reaches mean Spearman correlation up to 0.598. Across 15 controlled variants, models that preserve the gradient path throu

arXiv:2605.18657v2 Announce Type: replace-cross Abstract: Time Series Foundation Models (TSFMs) have demonstrated notable success in general-purpose forecasting tasks; however, their adaptation to specialized classification problems remains constrained by the computational bottleneck of standard attention and the systematic omission of classical statistical knowledge. This technical report introduces KairosHope, a next-generation TSFM designed to reconcile massive generalization with analytical precision in classification tasks. The core of the proposal is the HOPE block, an architecture that replaces quadratic attention with a dual-memory system: Titans modules for dynamic short-term retention and a Continuum Memory System (CMS) for the abstraction of long-term historical context. To enrich the inductive bias, a Hybrid Decision Head is introduced, which fuses deep latent representations with deterministic statistical features extracted via tsfeatures package. KairosHope undergoes self

arXiv:2605.23967v1 Announce Type: cross Abstract: In biological systems, sensing is not performed by the brain alone: the body deforms, vibrates, and filters external stimuli before they are transduced into neural signals. In engineered systems, this processing burden is placed largely on electronics and computation, while the mechanical body is usually designed only for strength and stability. Here, we present sensing intelligence as a trainable property of the body. We show that the geometry of a metamaterial can be optimized to reshape external stimuli into internal signals that are easier for a neural network to interpret. Rather than hand-designing this physical preprocessing, we let the neural network train its own body for sensing by backpropagating the sensing loss to the body's design parameters through differentiable simulation. Across numerical and experimental sensing scenarios, the optimized body improves sensing accuracy by up to fivefold or reduces the number of required

arXiv:2605.26112v1 Announce Type: new Abstract: This paper studies the next major bottleneck in agentic AI as system scaling, not only model scaling: the design of auditable, persistent, modular, and verifiable architectures around foundation models. We refer to this shift as scaling the harness: treating the structured execution layer around a foundation model as a first-class object of design, evaluation, and optimization. Although recent large language models enable agents to use tools, retrieve information, maintain memory, and execute long-horizon workflows, evaluation remains largely model-centric, often reducing agents to final-task success while treating memory, retrieval, tool use, orchestration, verification, and governance as secondary implementation details. This framing is increasingly inadequate because agent performance emerges from the interaction among the foundation model, memory substrate, context constructor, skill-routing layer, orchestration loop, and verification

arXiv:2605.24608v1 Announce Type: new Abstract: We develop a rigorous algebraic framework for deep convolutional architectures, CNNs, ResNets, and encoder--decoder networks such as UNet, grounded in lattice theory and mathematical morphology. The central tool is the Matheron--Maragos--Banon--Barrera (MMBB) universal representation theory for translation-invariant operators, which we apply systematically to every layer of a standard deep network. The principal finding is that the standard CNN pipeline (linear convolution~$+$ ReLU~$+$ flat max-pooling) is a cross-lattice operator: the convolution is an erosion in the Fourier inf-semilattice while ReLU is a lattice-join closing and max-pooling is a dilation in the pointwise max-plus lattice, and their composition is a morphological opening in neither. A second finding is that the upper adjoint of ReLU in the pointwise lattice is a global (non-local) operator, the identity on globally non-negative functions and $-\infty$ otherwise, so no l

arXiv:2401.11963v5 Announce Type: replace-cross Abstract: Evolutionary Reinforcement Learning (ERL), which integrates Evolutionary Algorithms (EAs) and Reinforcement Learning (RL) for optimization, has demonstrated remarkable performance advancements. By fusing both approaches, ERL has emerged as a promising research direction. This survey offers a comprehensive overview of the diverse research branches in ERL. Specifically, we systematically summarize recent advancements in related algorithms and identify three primary research directions: EA-assisted Optimization of RL, RL-assisted Optimization of EA, and synergistic optimization of EA and RL. Following that, we conduct an in-depth analysis of each research direction, organizing multiple research branches. We elucidate the problems that each branch aims to tackle and how the integration of EAs and RL addresses these challenges. In conclusion, we discuss potential challenges and prospective future research directions across various re

arXiv:2401.01160v3 Announce Type: replace-cross Abstract: We investigate a framework for train-free MRI segmentation based on Topological Data Analysis. The pipeline proceeds in three steps, first identifying the whole object to segment via automatic thresholding, then detecting a distinctive subset whose topology is known in advance, and finally deducing the various components of the segmentation. A key ingredient is the extraction of approximate representative cycles from persistence diagrams, which provides an interpretable link between persistent features and anatomical components. To clarify the method's scope, we make the underlying topological and intensity assumptions explicit, quantify when they hold on real data, and analyze typical failure modes. We evaluate the approach on glioblastoma and on fetal cortical plate segmentation, with comparisons to unsupervised and deep-learning references. By operating without large annotated datasets, the method is well suited to scarce-dat

arXiv:2605.09081v3 Announce Type: replace-cross Abstract: We introduce the first universal pretraining corpus for industrial time-series data: FactoryNet. 51M datapoints across 23k end-to-end task executions (13.3k real, 9.8k synthetic) on six embodiments, unified by a shared schema that enables robust zero-shot cross-embodiment transfer and highly parameter-efficient anomaly detection. We introduce a novel schema: Setpoint, Effort, Feedback, Context (S-E-F-C) underlying the whole pipeline that maps any actuated system into a common representational frame. The corpus spans 27 annotated anomaly types alongside healthy baselines and counterfactual pairs across robotic manipulation and machining domains. Cross-embodiment transfer experiments yield positive results: under bias-aware metrics our model demonstrates fair cross-embodiment transfer capabilities on the evaluated source-target pair, while 24 schema-aligned signals achieves competitive anomaly detection performance compared to hig

arXiv:2605.22634v2 Announce Type: replace-cross Abstract: Skills have become a practical packaging mechanism for agent instructions, workflows, scripts, and reference materials. In enterprise settings, however, a skill often needs to express more than task guidance: goals, input boundaries, permissions, human approval points, evidence requirements, output contracts, quality criteria, verification steps, and handoff rules. This paper proposes contractual skills, a GovernSpec-inspired design framework for organizing SKILL.md files as readable task contracts while preserving lightweight skill discovery and progressive loading. The framework clarifies the boundary between contractual skills, GovernSpec YAML contracts, Model Context Protocol (MCP) surfaces, tool adapters, runtime guardrails, tracing, and evaluation systems. We evaluate the framework with three offline empirical studies. The first text-generation experiment covers three enterprise skills, fifteen synthetic tasks, four instru

arXiv:2605.25903v1 Announce Type: cross Abstract: Activation verbalization explains hidden representations in natural language, but existing methods are mostly limited to self-explanation, where each model explains only its own activations. We introduce Universal Activation Verbalizer (UAV), a framework that uses a shared decoder to explain activations from heterogeneous donor models. UAV learns a lightweight adapter that converts donor activations into soft tokens in decoder's embedding space, and further supports adapter-only transfer by reusing a frozen decoder-side LoRA while training only a new adapter for another donor. Across classification, fact retrieval, and gist summarization, UAV remains competitive with strong self-explanation baselines while enabling cross-model verbalization across model families and scales. Ablations show that decoder-side tuning mainly improves task behavior, whereas the adapter provides the activation-grounded factual and semantic information needed f

arXiv:2602.02979v3 Announce Type: replace-cross Abstract: Large Language Models (LLMs) have demonstrated strong potential in complex reasoning, yet their progress remains fundamentally constrained by reliance on massive high-quality human-curated tasks and labels, either through supervised fine-tuning (SFT) or reinforcement learning (RL) on reasoning-specific data. This dependence renders supervision-heavy training paradigms increasingly unsustainable, with signs of diminishing scalability already evident in practice. To overcome this limitation, we introduce CPM\"obius (CPMobius), a collaborative Coach-Player paradigm for data-free reinforcement learning of reasoning models. Unlike traditional adversarial self-play, CPM\"obius, inspired by real world human sports collaboration and multi-agent collaboration, treats the Coach and Player as independent but cooperative roles. The Coach proposes instructions targeted at the Player's capability and receives rewards based on changes in the P

arXiv:2605.25258v1 Announce Type: cross Abstract: Recommender systems generally optimises user engagement, but this approach is dangerous in mental health contexts. When vulnerable users show signs of suicidal ideation, standard algorithms often trap them in echo chambers of harmful content, worsening their psychological state. In response, we introduce RankAid, a re-ranking method that prioritises clinical safety alongside predictive relevance. It works as an add-on layer to existing models: it penalises risky items and boosts therapeutic content depending on the user's current level of vulnerability. We evaluated this approach using the MovieLens 1M dataset, where items were semantically annotated for clinical risk and therapeutic value using large language models. Our simulations show that our algorithm successfully blocks the recommendation of harmful content during crisis peaks, actively reshaping the feed to support emotional de-escalation. Furthermore, this safety intervention o