#01Nov 5, 2026
cs.LG
Same Behavior, Different Mechanism: What Finite Experiments Can Certify About Integrated Information
Linqian Wu, Diaoxuan He
Interpretability, AI auditing and assessments of machine consciousness increasingly rest on mechanism-level quantities: functionals of a system's causal transition law that describe how it computes, not what it outputs. Experiments see that law only through finite, partial and noisy interventions. We ask when such a quantity is identifiable from an experiment's access, continuous in the mechanism and certifiable from finite data, and answer exactly for a deliberately demanding case - the integrated information $\varphi$ of integrated information theory - in stochastic networks of four and five units with known ground truth. Behavior can be silent: a recurrent and a feed-forward network with identical input-output laws at their response delay carry 0.28 and 0 bits, yet internal recordings separate them within 4-53 trials. Partial access can be just as blind: in our examples, units left out of a one-step recording impose precision floors of 0.30-1.02 bits that no sample size lowers, and in all-but-self parity networks, recordings of any length see several hidden units only through the product of their fidelities - a symmetry that one intervention broke in exact checks. The measure has sharp edges: because $\varphi$ selects a partition, and the cause and effect it specifies, by one criterion and reports another, infinitesimal changes of mechanism that cross an edge change it by 25-100% at 99% of the edges we found in random networks, and about 1% of surrogate models that fit interventional data almost perfectly misreport it by more than 20%. One-sided claims survive: the same data certify a lower bound on both sides of an edge, and we prove $\varphi>1.004$ bits throughout a 64-dimensional region of mechanisms and certify it from about $10^7$ controlled transitions with false-certificate probability at most $α$. Measurability is thus a design question with computable answers.
#02Nov 5, 2026
cs.AI
Benchmarking Large Language Models on Heterogeneous Cognitive and Biomedical Knowledge Graphs: The Role of Graph Grounding in Multi-Hop Reasoning and Hallucination Mitigation
Ali Sarabadani, Kheirolah Rahsepar Fard, Tahereh Jeirani
Large language models (LLMs) are increasingly used in biomedical and cognitive neuroscience, but their ability to reason reliably over heterogeneous knowledge graphs (KGs) remains unclear. We benchmark five LLMs (GPT-5.1, Gemini 2.0 Pro, Llama 3, Qwen, and BioGPT) across five KGs: DrugBank, NeuroSynth, Cognitive Atlas, Brain Map, and GDPKG. We introduce a multitier query dataset to evaluate reasoning depth and factual accuracy under KG-aware (graph-grounded) and KG-agnostic conditions. Inter-annotator agreement was substantial, with Cohen's kappa of 0.781 (range: 0.753-0.807) and Fleiss' kappa of 0.77. Results show that general-purpose models, particularly GPT-5.1 and Gemini 2.0 Pro, generally outperform domain-specific models on multi-hop and high-level reasoning tasks, although performance declines as query complexity increases. KG grounding reduces hallucination rates across all evaluated models. Contrary to our initial hypothesis, domain-specific models do not consistently outperform general-purpose models on specialized tasks without graph grounding. These findings highlight the value of combining broad language-model capabilities with structured domain knowledge. We provide practical guidance for selecting LLM-KG integration strategies based on task complexity and computational constraints, and discuss hybrid neurosymbolic architectures for personalized medicine, cognitive disorder diagnosis, and explainable AI.
#03Nov 5, 2026
cs.LG
User Embeddings are Superpositions of Interpretable Behavioral Modes
Jonathan Kozaczuk, Zheng Dong, Noyan Evirgen and 7 more
User embeddings are central components of modern recommendation, personalization, and behavioral modeling systems. Though these embeddings can compactly encode rich behavioral information, they are inherently dense and opaque, limiting interpretability. To address this gap, we argue that user embeddings can be understood as sparse superpositions of interpretable behavioral modes. This structure is directly predicted by generative models of user behavior for linear embeddings and extends approximately to deep-learning representations by the superposition hypothesis. Superimposed modes can naturally be recovered by sparse dictionary learning methods, such as sparse autoencoders (SAEs), and recovered modes can be automatically named and queried in natural language. We validate mode recovery against known ground truth on synthetic data, where SAEs recover modes better than classical sparse baselines, including on transformer-encoded embeddings. We then apply the method to classical and transformer-based user embeddings from two real-world datasets. We also show how the corresponding natural-language labels enable zero-shot audience retrieval and characterization over embeddings never trained on text. The framework is post-hoc and model-agnostic, requiring no modification to the upstream embedding system.
#04Nov 5, 2026
cs.LG
On the limitations of molecular representations
Acer Blake, Fergus Imrie, Charlotte M. Deane
Molecular representations such as fingerprints and learned embeddings play a central role in cheminformatics and small-molecule machine learning. They serve as the primary input for a diverse array of tasks, including clustering, dataset splitting, and virtual screening, yet their evaluation is often limited to downstream model performance on narrow benchmark tasks. We carried out a systematic investigation of the quality of molecular representations, finding that none of the state-of-the-art molecular embedding models capture graph structure, 3D shape, or ADMET endpoint similarity better than fingerprints or physicochemical descriptors. However, classical fingerprints also revealed their own material limitations. For example, we show that depending on the representation, between 225M and $\sim$4B molecules have non-unique representations in the 10.8B Enamine REAL database, with implications for virtual screening. Our findings provide an insight into the current limitations of molecular representations, outlining future research directions for the development of more robust encodings of small molecules.
#05Nov 5, 2026
cs.CV
4D Point Splatting for mmWave Radar Micro-Doppler Differentiable Rendering
Adnan Armouti, Guanyue Qian, Rajalakshmi Nandakumar
Millimeter-wave radar resolves the micrometer displacements of a moving body as micro-Doppler, enabling gait, gesture, activity, pose and vital-sign sensing. Each task relies on a downstream model trained on real data, yet radar datasets lag orders of magnitude behind vision and language. Brute-force collection will not close that gap, and existing synthesis methods (forward-only simulators, learned generators and static-scene inverse renderers) cannot fit a real capture of a moving body, leaving a sim2real gap. We present 4D Point Splatting (4DPS), a physics-based differentiable renderer that fits an explicit moving scene to a real capture. Using the synchronized camera to initialize the room and body, we represent the scene as oriented points carrying material, normal and velocity, and splat each point into range and Doppler bins. Our output is the raw complex return a real radar records, so we apply the same signal processing on the rendered data to obtain any representation for training any SOTA downstream model. We fit 235 sequences on HuPR and 100 on RT-Pose, two datasets with different radars. Our reconstructions set the state of the art, with median correlations of 0.940 and 0.830 on range-azimuth, 0.829 and 0.695 on range-Doppler, and 0.988 and 0.966 on micro-Doppler. Our renders also set the state of the art in downstream sim2real gap. On RT-Pose, a pose model trained on them reaches 21.9 cm MPJPE on real data, against 16.7 cm for real training and 127.6 cm for the RF-Genesis baseline, where both the rendered- and real-trained models learn nearly the same features. Our custom CUDA kernels fit a sequence in 5.7 minutes on HuPR and 12.9 on RT-Pose on one H100, making dataset-scale inverse rendering of mmWave radar possible for the first time. This work can enable synthetic data generation for any human-centered downstream task and model, and scene editing for data augmentation.