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Curious Causality-Seeking Agents in Open-ended Worlds

Neural Information Processing Systems

When building a world model, a common assumption is that the environment has a single, unchanging underlying causal rule, like applying Newton's laws to every situation. However, in truly open-ended environments, the apparent causal mechanism may drift over time because the agent continually encounters novel contexts and operates within a limited observational window. This brings about a problem that, when building a world model, even subtle shifts in policy or environment states can alter the very observed causal mechanisms. In this work, we introduce the Meta-Causal Graph as world models for open-ended environments, a minimal unified representation that efficiently encodes the transformation rules governing how causal structures shift across different latent world states. A single Meta-Causal Graph is composed of multiple causal subgraphs, each triggered by meta state, which is in the latent state space. Building on this representation, we introduce a Causality-Seeking Agent whose objectives are to (1) identify the meta states that trigger each subgraph, (2) discover the corresponding causal relationships by agent curiosity-driven intervention policy, and (3) iteratively refine the Meta-Causal Graph through ongoing curiosity-driven exploration and agent experiences. Experiments on both synthetic tasks and a challenging robot arm manipulation task demonstrate that our method robustly captures shifts in causal dynamics and generalizes effectively to previously unseen contexts.


Causally Reliable Concept Bottleneck Models

Neural Information Processing Systems

Concept-based models are an emerging paradigm in deep learning that constrains the inference process to operate through human-interpretable variables, facilitating explainability and human interaction. However, these architectures, on par with popular opaque neural models, fail to account for the true causal mechanisms underlying the target phenomena represented in the data. This hampers their ability to support causal reasoning tasks, limits out-of-distribution generalization, and hinders the implementation of fairness constraints. To overcome these issues, we propose Causally reliable Concept Bottleneck Models (C2BMs), a class of concept-based architectures that enforce reasoning through a bottleneck of concepts structured according to a model of the real-world causal mechanisms. We also introduce a pipeline to automatically learn this structure from observational data and unstructured background knowledge (e.g., scientific literature). Experimental evidence suggests that C2BMs are more interpretable, causally reliable, and improve responsiveness to interventions w.r.t.


25% EAntibacterial Antiviral AntifungalAntiparasiticARAEEthAcSSeibnroM M BAn MPeut8iMmonl0oi 25%

Neural Information Processing Systems

Antimicrobial peptides have emerged as promising molecules to combat antimicrobial resistance. However, fragmented datasets, inconsistent annotations, and the lack of standardized benchmarks hinder computational approaches and slow down the discovery of new candidates. To address these challenges, we present the Expanded Standardized Collection for Antimicrobial Peptide Evaluation (ESCAPE), an experimental framework integrating over 80000 peptides from 27 validated repositories. Our dataset separates antimicrobial peptides from negative sequences and incorporates their functional annotations into a biologically coherent multilabel hierarchy, capturing activities across antibacterial, antifungal, antiviral, and antiparasitic classes. Building on ESCAPE, we propose a transformer-based model that leverages sequence and structural information to predict multiple functional activities of peptides. Our method achieves up to a 2.56% relative average improvement in mean Average Precision over the second-best method adapted for this task, establishing a new state-of-the-art multilabel peptide classification. ESCAPE provides a comprehensive and reproducible evaluation framework to advance AI-driven antimicrobial peptide research.


Decoding Causal Structure: End-to-End Mediation Pathways Inference

Neural Information Processing Systems

Causal mediation analysis is crucial for deconstructing complex mechanisms of action. However, in current mediation analysis, complex structures derived from causal discovery lack direct interpretation of mediation pathways, while traditional mediation analysis and effect estimation are limited by the reliance on pre-specified pathways, leading to a disconnection between structure discovery and causal mechanism understanding. Therefore, a unified framework integrating structure discovery, pathway identification, and effect estimation systematically quantifies mediation pathways under structural uncertainty, enabling automated identification and inference of mediation pathways. To this end, we propose Structure-Informed Guided Mediation Analysis (SIGMA), which guides automated mediation pathway identification through probabilistic causal structure discovery and uncertainty quantification, enabling end-to-end propagation of structural uncertainty from structure learning to effect estimation. Specifically, SIGMA employs differentiable Flow-Structural Equation Models to learn structural posteriors, generating diverse Directed Acyclic Graphs (DAGs) to quantify structural uncertainty. Based on these DAGs, we introduce the Path Stability Score to evaluate the marginal probability of pathways, identifying high-confidence mediation paths. For identified mediation pathways, we integrate Efficient Influence Functions with Bayesian model averaging to fuse within-structure estimation uncertainty and between-structure effect variation, propagating uncertainty to the final effect estimates. In synthetic data experiments, SIGMA achieves state-of-the-art performance in pathway identification accuracy and effect quantification precision under structural uncertainty, concurrent multiple pathways, and nonlinear scenarios. In real-world applications using Human Phenotype Project data, SIGMA identifies mediation effects of sleep quality on cardiovascular health through inflammatory and metabolic pathways, uncovering previously unspecified multiple mediation paths.


Measuring Scientific Capabilities of Language Models with a Systems Biology Dry Lab

Neural Information Processing Systems

Designing experiments and result interpretations are core scientific competencies, particularly in biology, where researchers perturb complex systems to uncover the underlying systems. Recent efforts to evaluate the scientific capabilities of large language models (LLMs) fail to test these competencies because wet-lab experimentation is prohibitively expensive: in expertise, time and equipment. We introduce SciGym, a first-in-class benchmark that assesses LLMs' iterative experiment design and analysis abilities in open-ended scientific discovery tasks. SciGym overcomes the challenge of wet-lab costs by running a dry lab of biological systems. These models, encoded in Systems Biology Markup Language, are efficient for generating simulated data, making them ideal testbeds for experimentation on realistically complex systems.


HIDISC: AHyperbolic Framework for Domain Generalization with Generalized Category Discovery

Neural Information Processing Systems

Generalized Category Discovery (GCD) aims to classify test-time samples into either seen categories--available during training--or novel ones, without relying on label supervision. Most existing GCD methods assume simultaneous access to labeled and unlabeled data during training and arising from the same domain, limiting applicability in open-world scenarios involving distribution shifts. Domain Generalization with GCD (DG-GCD) lifts this constraint by requiring models to generalize to unseen domains containing novel categories, without accessing targetdomain data during training. The only prior DG-GCD method, DG2CD-Net [1], relies on episodic training with multiple synthetic domains and task vector aggregation, incurring high computational cost and error accumulation. We propose HIDISC, a hyperbolic representation learning framework that achieves domain and category-level generalization without episodic simulation. To expose the model to minimal but diverse domain variations, we augment the source domain using GPTguided diffusion, avoiding overfitting while maintaining efficiency. To structure the representation space, we introduce Tangent CutMix, a curvature-aware interpolation that synthesizes pseudo-novel samples in tangent space, preserving manifold consistency. A unified loss--combining penalized Busemann alignment, hybrid hyperbolic contrastive regularization, and adaptive outlier repulsion--facilitates compact, semantically structured embeddings.


Towards 3DObjectness Learning in an Open World

Neural Information Processing Systems

Recent advancements in 3D object detection and novel category detection have made significant progress, yet research on learning generalized 3D objectness remains insufficient. In this paper, we delve into learning open-world 3D objectness, which focuses on detecting all objects in a 3D scene, including novel objects unseen during training. Traditional closed-set 3D detectors struggle to generalize to openworld scenarios, while directly incorporating 3D open-vocabulary models for openworld ability struggles with vocabulary expansion and semantic overlap. To achieve generalized 3D object discovery, we propose OP3Det, a class-agnostic OpenWorld Prompt-free 3DDetector to detect any objects within 3D scenes without relying on hand-crafted text prompts. We introduce the strong generalization and zero-shot capabilities of 2D foundation models, utilizing both 2D semantic priors and 3D geometric priors for class-agnostic proposals to broaden 3D object discovery. Then, by integrating complementary information from point cloud and RGB image in the cross-modal mixture of experts, OP3Det dynamically routes uni-modal and multi-modal features to learn generalized 3D objectness. Extensive experiments demonstrate the extraordinary performance of OP3Det, which significantly surpasses existing open-world 3D detectors by up to 16.0% in AR and achieves a 13.5% improvement compared to closed-world 3D detectors.


MOOSE-Chem2: Exploring LLMLimits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

Neural Information Processing Systems

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.1


AI makes Pompeii victim's final moments look shockingly real

Popular Science

AI makes Pompeii victim's final moments look shockingly real The archaeologists behind the video believe the man covered his head with a bowl to protect himself from volcanic debris. More information Adding us as a Preferred Source in Google by using this link indicates that you would like to see more of our content in Google News results. This victim of the 79 CE eruption of Mount Vesuvius was discovered in the Pompeii archaeological area near Naples in southern Italy. Breakthroughs, discoveries, and DIY tips sent six days a week. By signing up, you confirm you are 16+, will receive newsletters and promotional content and agree to our Terms of Use and acknowledge the data practices in our Privacy Policy .


ASustainable AIEconomy Needs Data Deals That Work for Generators

Neural Information Processing Systems

We argue that the machine learning value chain is structurally unsustainable due to an economic data processing inequality: each state in the data cycle from inputs to model weights to synthetic outputs refines technical signal but strips economic equity from data generators. We show, by analyzing seventy-three public data deals, that the majority of value accrues to aggregators, with documented creator royalties rounding to zero and widespread opacity of deal terms. This is not just an economic welfare concern: as data and its derivatives become economic assets, the feedback loop that sustains current learning algorithms is at risk. We identify three structural faults--missing provenance, asymmetric bargaining power, and nondynamic pricing--as the operational machinery of this inequality. In our analysis, we trace these problems along the machine learning value chain and propose an Equitable Data-Value Exchange (EDVEX) Framework to enable a minimal market that benefits all participants. Finally, we outline research directions where our community can make concrete contributions to data deals and contextualize our position with related and orthogonal viewpoints.