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.
Maksim Kuznetsov, Zulfat Miftahutdinov, Rim Shayakhmetov et al.· 0 citations
\emph{Integrated communication and computation} (IC$^2$) has emerged as a new paradigm for enabling efficient edge inference in sixth-generation (6G) networks. However, the design of IC$^2$ technologies is hindered by the lack of a tractable theoretical framework for characterizing \emph{end-to-end} (E2E) inference performance. The metric is highly complicated as it needs to account for both channel distortion and artificial intelligence (AI) model architecture and computational complexity. In this work, we address this challenge by developing a tractable analytical model for E2E inference accuracy and leveraging it to design a \emph{channel-adaptive AI} algorithm that maximizes inference throughput, referred to as the edge processing rate (EPR), under latency and accuracy constraints. Specifically, we consider an edge inference system in which a server deploys a backbone model with early exit, which enables flexible computational complexity, to perform inference on data features transmitted by a mobile device. The proposed accuracy model characterizes high-dimensional feature distributions in the angular domain using a Mixture of von Mises (MvM) distribution. This leads to a desired closed-form expression for inference accuracy as a function of quantization bit-width and model traversal depth, which represents channel distortion and computational complexity, respectively. Building upon this accuracy model, we formulate and solve the EPR maximization problem under joint latency and accuracy constraints, leading to a channel-adaptive AI algorithm that achieves full IC$^2$ integration. The proposed algorithm jointly adapts transmit-side feature compression and receive-side model complexity according to channel conditions to maximize overall efficiency and inference throughput. Experimental results demonstrate its superior performance as compared with fixed-complexity counterparts.
Unsupervised remote sensing change detection (UCD) aims to localise changes between two images of the same region without relying on labelled training data. Most recent approaches either use a frozen foundation model in a training-free manner or train with synthetic changes generated in pixel space. Both strategies inherently rely on predefined assumptions about change types, typically introduced through handcrafted rules, external datasets, or auxiliary generative models. Due to these assumptions, such methods fail to generalise beyond a few change types, limiting their real-world usage, especially in rare or complex scenarios. To address this, we propose MaSoN (Make Some Noise), an end-to-end UCD framework that synthesises diverse changes directly in the latent feature space during training. It generates changes dynamically estimated from feature statistics of the target data, enabling diverse yet data-driven variation aligned with the target domain. Since synthesis happens in latent space, it also easily extends to new modalities, such as SAR and multispectral data. MaSoN generalises strongly across diverse change types and improves the average F1 score across five benchmarks by 14.1 percentage points. Project page: https://blaz-r.github.io/mason_ucd/
Bla\v{z} Rolih, Matic Fu\v{c}ka, Filip Wolf et al.· 0 citations
Long-context LLMs and Retrieval-Augmented Generation defer state tracking and evidence consolidation to query time, which is brittle when facts evolve and answers depend on latent states. We introduce Unified Memory Agent (UMA) for a one-to-many setting: query-agnostic external memory is constructed once from a stream and reused across multiple future QA sessions. A single policy maintains a structured Memory Bank through CRUD operations and answers using both the Memory Bank and raw context. Task-Stratified GRPO uses the mean reward of QA trajectories branching from each sampled memory state to supervise memory maintenance, while normalizing memory and per-question QA groups separately. We also introduce Ledger-QA, a diagnostic benchmark for long-horizon state tracking over accumulated updates. At the 16k budget, UMA-Generalist achieves the highest average score among compared methods across the test-time-learning and accurate-retrieval benchmarks and transfers to Ledger-QA without task-specific training; UMA-Specialist further improves long-horizon tracking after task adaptation. These results support learned proactive memory management for long-context reasoning.
Kehao Zhang, Shangtong Gui, Sheng Yang et al.· 0 citations
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Persistent entropy is a scalar summary of persistence barcodes widely used to detect regime changes, yet there is no account of when a structural change in a barcode must produce a detectable change in entropy. We establish a model-agnostic theorem supplying such conditions. Treating persistence diagrams as random objects indexed by a control parameter, we identify a dispersion-condensation mechanism in the normalized persistence weights and derive an explicit lower bound on the entropy difference between the two regimes, valid with high probability at finite sample size and insensitive to the absolute scale of bar lifetimes. We also give a procedure for verifying the hypotheses on empirical barcodes. Applied to convolutional networks, the criterion shows that the circular organization of learned filters reported by Gabrielsson and Carlsson emerges through a sharp topological phase transition, and locates its onset: within a few hundred iterations on MNIST, but an order of magnitude later on CIFAR-10. The same criterion detects the Kuramoto synchronization and Vicsek order-disorder transitions.
Learning algorithmic computation often requires explicit relational intermediate states, yet many graph processors maintain their primary states on individual entities. We introduce \fnet and \textbf{Pivotal Attention} (PA), which maintain ordered pair states and update a target relation $(i,k)$ by attending over candidates formed from $(i,j)$ and $(j,k)$ for every pivot $j$. Motivated by the pair-and-pivot structure of Floyd--Warshall, PA learns relation composition and pivot weighting in parallel rather than executing its ordered min-plus recurrence. The \kfnet{k} framework extends this operation to ordered $k$-tuples, with Self-Attention and PA as its $k=1$ and $k=2$ cases at the attention-operation level. Under atomic tuple initialization and invariant readout, we show that \kfnet{k} is no more graph-discriminative than k-FWL; on BREC, each evaluated variant matches the success set of its corresponding WL reference. \fnet further achieves 96.64\% mean accuracy under the reported CLRS-30 protocol and a 99.8\% optimality rate with 10 samples on held-out non-metric TSP instances.
Memory management is vital for LLM agents in long-term and personalized interactions. Most previous work studies how to retrieve and use memory, but pays less attention to how memory is extracted. We find two main limitations in existing methods. First, extraction is "ahead-of-time": the agent saves information before it knows future tasks. A single summary prompt often mixes details, events, and relations, so useful information is lost. Second, extraction is usually one-off. Without verification, errors and hallucinations may stay in memory for a long time. To address these limitations, we propose ProMem, a proactive memory extraction framework. It separates details, events, and relations, and uses different extraction strategies for each type. It also checks completeness to recover missed events and verifies facts at the atomic level to reduce hallucinations. Experiments show that ProMem improves memory completeness and QA accuracy, while keeping a good balance between quality and token cost.
Chengyuan Yang, Zequn Sun, Wei Wei et al.· 0 citations
This paper presents a hybrid insider threat detection framework for enterprise environments, integrating multi-agent simulation, layered SIEM correlation, trust-adaptive thresholds, behavioral and communication forensics, and Theory-of-Mind reasoning. Email is treated not as a control channel but as a coordination and social-engineering evidence stream correlated with authentication, file-access, and privilege events. Four variants are evaluated: Layered SIEM-Core (LSC), Cognitive-Enriched SIEM (CE-SIEM), Evidence-Gated SIEM (EG-SIEM), and EG-SIEM-Enron with Enron-calibrated email forensics. Across ten matched runs with eight malicious insiders, actor-level F1 improves from 0.567 for LSC to 0.774 for CE-SIEM, 0.898 for EG-SIEM, and 0.944 for EG-SIEM-Enron; paired Wilcoxon tests confirm the first three differences after Holm-Bonferroni correction. Evidence gating reduces confirmed false positives from 33.7 per run under LSC and 49.3 under CE-SIEM to 0.2 and 0.0 respectively, a precision gain traded against longer confirmation time. Domain-shift evaluation shows that an Enron-trained email classifier does not transfer to a different operational email domain, although target-domain fine-tuning reaches F1 = 0.974 under grouped template-family evaluation. On CERT r4.2, the evidence-gated logic improves actor-level detection while reducing false positives, outperforming tabular anomaly detectors and a sentence-embedding baseline. Scalability tests to 1000 agents indicate stable detection quality.
State space models (SSMs) like Mamba offer efficient alternatives to Transformer-based language models, with linear time complexity. Yet, their adversarial robustness remains critically unexplored. This paper studies the phenomenon whereby specific short input phrases induce a partial amnesia effect in such models, by irreversibly overwriting information in their hidden states, referred to as a Hidden State Poisoning Attack (HiSPA). Our benchmark RoBench-25 allows evaluating a model's information retrieval capabilities when subject to HiSPAs, and confirms the vulnerability of SSMs against such attacks. Even the recent Jamba-1.7-Mini SSM--Transformer (a 52B hybrid model) collapses on RoBench-25 under some HiSPA triggers, whereas pure Transformers do not. We also observe that HiSPA triggers significantly weaken the Jamba model on the popular Open-Prompt-Injections benchmark, unlike pure Transformers. We further show that the theoretical and empirical findings extend to Mamba-2, and also analyse a Mamba-2-based hybrid (Nemotron-3-Nano). Finally, our interpretability study reveals patterns in Mamba's hidden layers during HiSPAs that could be used to build a HiSPA mitigation system. The full code and data to reproduce the experiments can be found at https://github.com/TortueSagace/hispa.
Alexandre Le Mercier, Chris Develder, Thomas Demeester· 0 citations
Large Language Models (LLMs) with reasoning capabilities have recently demonstrated strong potential in medical Question Answering (QA). Existing approaches are largely English-focused and primarily rely on distillation from general-purpose LLMs, raising concerns about the reliability of their medical knowledge. In this work, we present a method to generate multilingual reasoning traces based on medical knowledge extracted from Wikipedia. We produce 500k traces in English, Italian, and Spanish, using a retrieval-augmented generation approach over medical information from Wikipedia. The traces are generated to solve medical questions drawn from MedQA and MedMCQA, which we extend to Italian and Spanish. We test our pipeline in both in-domain and out-of-domain settings across Medical QA benchmarks, and demonstrate that our reasoning traces improve performance both when utilized via in-context learning (few-shot) and supervised fine-tuning, yielding state-of-the-art results among 8B-parameter LLMs. We believe that these resources can support the development of more transparent clinical decision-support tools in multilingual settings. We release the full suite of resources: reasoning traces, translated QA datasets, Medical-Wikipedia, and fine-tuned models.
Pietro Ferrazzi, Aitor Soroa, Rodrigo Agerri· 0 citations
Recent advancements in diffusion and flow models have greatly improved text-based image editing, yet methods that edit images independently often produce geometrically and photometrically inconsistent results across different views of the same scene. Such inconsistencies are particularly problematic for editing of 3D representations such as NeRFs or Gaussian splat models. We propose a training-free guidance framework that enforces multi-view consistency during the image editing process. The key idea is that corresponding points should look similar after editing. To achieve this, we introduce a consistency loss that guides the denoising process toward coherent edits. The framework is flexible and can be combined with widely varying image editing methods, supporting both dense and sparse multi-view editing setups. Experimental results show that our approach significantly improves 3D consistency compared to existing multi-view editing methods. We also show that this increased consistency enables high-quality Gaussian splat editing with sharp details and strong fidelity to user-specified text prompts. Please refer to our project page for video results: https://3d-consistent-editing.github.io/
Josef Bengtson, David Nilsson, Dong In Lee et al.· 0 citations
We study the dimension and identifiability of neurovarieties associated to polynomial neural networks. We give an independent geometric proof that the linear bounds $d_i\geq 2n_i-1$ on the activation degrees imply non defectiveness for any number of outputs, a dimension statement previously obtained from finite identifiability. The proof is based on a direct analysis of the differential of the parameterization. We also investigate secant and Grassmann-secant obstructions outside this range and prove global identifiability for multi-output architectures under the same degree bounds.
