Search: “scientific-machine-learning”

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ScienceBuddy: Recursive-in-Recursive Self-Improvement for Interactive Scientific Agents

ScienceBuddy couples harness evolution with model reinforcement learning so scientific agents continually self-improve from researcher feedback in an interactive workspace.

The authors release ScienceBuddy, an interactive scientific research workspace that transforms researcher requests, feedback, and execution evidence into tasks and evaluation rubrics for continual learning. Its recursive-in-recursive self-improvement paradigm couples harness evolution (inner recursion, model fixed) with model reinforcement learning under the improved harness (outer recursion). Case studies span four scientific task families, and the system is released to the scientific community as a research product.

arXiv cs.AI / cs.LG / cs.CL·Sep 15, 17:55 UTC · 20h agoAI research 2 sources

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Discovery Foundation Models: Toward Open-Ended Discovery Intelligence

Proposes Discovery Foundation Models that participate in creating new problems and knowledge, instantiated in Zetema and the GALILEO therapeutic-discovery system.

The paper formulates Discovery Foundation Models (DFMs) as general-purpose systems for open-ended discovery, supporting seven coupled capabilities from problem discovery through evidence-grounded revision and continual improvement. It instantiates the framework with Zetema, combining explicit research-state dynamics, verification gating, external grounding, and cross-task Discovery Skill evolution. GALILEO, a real therapeutic-discovery system, closes the loop between Dry-Lab reasoning, robotic and hands-on Wet-Lab experimentation, and iterative hypothesis revision. The authors also define process-centered evaluation so discovery behavior can be trained and measured beyond final answers.

arXiv cs.AI / cs.LG / cs.CL·Sep 14, 17:56 UTC · 1d agoAI research 2 sources

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CausalArena: Benchmarking Causal Discovery in the Foundation Model Era

Researchers introduce CausalArena, a unified benchmark revealing that causal discovery rankings shift substantially across structural causal model families and protocols.

The paper presents CausalArena, a unified and evolvable benchmark for causal discovery combining synthetic structural causal models, semantically grounded operational SCMs, formula-grounded scientific SCMs, and public real-world datasets. Experiments across classical, neural, and pretrained causal discovery foundation models show large ranking shifts between benchmark regimes. The authors identify pretraining-evaluation overlap and benchmark diversity as central evaluation challenges.

arXiv cs.AI / cs.LG / cs.CL·Sep 10, 17:53 UTC · 5d agoAI research

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I wrote an AI textbook — how long until AI can do it better?

AI researcher Nathan Lambert argues LLMs remain weak at long-form technical writing, questioning whether models can autonomously organize scientific knowledge for breakthroughs.

Nathan Lambert describes writing a post-training textbook, Reinforcement Learning from Human Feedback, and finds today's LLMs weak at organizing long-form technical content despite becoming superhuman at coding and math. He notes GPT 5.5 Pro found deep typos across a 200-300 page manuscript while Claude models proved more useful as editors. He argues that compressing knowledge through writing is a prerequisite for autonomous scientific insight and tempers expectations for near-term AI-driven open science.

Interconnects·Aug 12, 13:01 UTC · Aug 12, 2026AI research

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Design Docs Are All You Need: An AI-native Machine-Learning Performance Tool

Researchers present SMART, an ML performance-modeling library regenerated by AI coding agents from natural-language design docs instead of code.

The paper describes SMART, a symbolic performance-modeling library whose main branch contains almost no code: the repository is a DAG of self-contained design documents, and coding sub-agents regenerate implementations from only the docs on version updates. Reliability rests on a worked-example doc style used as in-context demonstrations and a minimal operator IR with SymPy cost expressions, offering both fast analytical roll-up and fine-grained modulo-scheduling modes. Regenerated implementations reproduce hand-audited reference models, including DeepSeek-V3 serving on a TPU pod slice, to round-off precision.

arXiv cs.AI / cs.LG / cs.CL·Sep 4, 17:08 UTC · 11d agoAI research1

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Learning with Covariance Matrices: Principal Component Analysis Meets Learning with Graphs

Theoretical tutorial establishes equivalence between covariance neural networks and PCA, with stability and transferability bounds and brain-age applications.

The paper reviews the theory of coVariance neural networks (VNNs), graph neural networks that operate on covariance matrices as graphs. It derives a conceptual equivalence between VNNs and PCA-based information processing, refined stability bounds under finite-sample covariance perturbations, and transferability characterizations across multiscale datasets. Demonstrated applications include brain age gap estimation for neurodegenerative conditions from neuroimaging data.

arXiv cs.AI / cs.LG / cs.CL·Sep 9, 17:28 UTC · 6d agoAI research1

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Google's AI genome system evaluates every possible one-base change

Google's AlphaGenome AI system predicts functional effects of non-coding DNA variants in humans and mice.

Google's AlphaGenome AI system evaluates genomic sequences to predict gene expression, transcription factor binding, chromatin accessibility, splice site usage, and related genomic features. The system is currently limited to human and mouse sequences and a limited set of well-studied cell types, but its predictions generally match or exceed specialized software tools. Researchers can use it to assess whether non-coding variants are likely significant and generate hypotheses about their function.

Ars Technica · AI·Sep 9, 16:34 UTC · 6d agoAI research

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Multi-Task Learning for Sparsely-Labeled Time Series: A Case Study on Cold-Hardiness Modeling

Multi-task RNN architectures pooling sparse cultivar data improve grape cold-hardiness and budbreak prediction over single-task and scientific baselines.

Researchers apply recurrent neural networks to daily grape cold-hardiness prediction from weather time series, where per-cultivar labels are temporally sparse and limited. They design multiple multi-task learning architectures that treat cultivars as tasks and evaluate them in both MTL and transfer learning settings. Certain architectures consistently outperform single-task learning and state-of-the-art scientific models, and a single MTL model jointly learning cold hardiness and budbreak improves accuracy on both tasks.

arXiv cs.AI / cs.LG / cs.CL·Sep 8, 17:17 UTC · 7d agoAI research

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NCP-ArchPreview Technical Report: Moving towards Latent Space Language Models through Next Concept Prediction

An 8.9B-parameter latent-space language model using next-concept prediction matches OLMo-3-7B pretraining loss with only 51.3% of the training tokens.

NCP-ArchPreview augments next-token prediction with Next Concept Prediction over a product-quantized concept vocabulary built from hidden states, trained jointly end-to-end. The 8.9B model was trained on 5.73T tokens from the Dolma-3 dataset, the largest latent-space language model demonstration to date. It consumes 51.3% of the tokens to reach OLMo-3-7B's final pretraining loss and outperforms it by 2.45 points on the downstream macro-average, including a 5.99-point GSM8K gain. The learned latent space also enables lightweight domain adaptation via a 17M-parameter VQ module and improves speculative drafting accepted length by 4.17%.

Hugging Face daily papers·Sep 8, 20:00 UTC · 7d agoAI research1

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Implementation of Machine Learning Workflows with NVIDIA cuML, RAPIDS, GPU Benchmarking, Explainability, Clustering, and Model Inference

Hands-on tutorial implements NVIDIA cuML and RAPIDS to GPU-accelerate scikit-learn-style ML workflows with benchmarking, clustering, and inference.

The tutorial demonstrates NVIDIA cuML as a GPU-accelerated machine learning framework, using cuml.accel to speed up unmodified scikit-learn scripts with zero code changes and the native cuML API for CuPy/cuDF interoperability. It benchmarks CPU versus GPU implementations of PCA, K-Means, nearest-neighbor search, logistic regression, random forests, and DBSCAN on datasets up to 200,000 samples with 64 features. It also builds GPU pipelines with UMAP, t-SNE, and HDBSCAN, validates GPU-generated SHAP explanations, uses the FIL library for forest inference, and covers model serialization and GPU/CPU portability.

MarkTechPost·Sep 13, 01:42 UTC · 3d agoAI tools & infra

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Why don't machine learning research agents overfit?

Amazon researchers explain why ML research agents avoid benchmark overfitting, attributing generalization to compressibility of successful strategies.

Amazon Science summarizes the paper "What fits (into few tokens) doesn't overfit: Compression and generalization in ML research agents," which investigates why benchmark hill-climbing loops, whether run by human communities or LLM research agents, do not produce rampant overfitting. The explanation formalizes Occam's razor via a counting argument: successful ML strategies are highly compressible, so short descriptions lack room to memorize benchmark data and must capture real structure. LLM-based agents, being resettable and controllable, allow this hypothesis to be tested empirically.

Hacker News · security·Sep 14, 16:32 UTC · 1d agoAI researchHN 21↑ · 3 comments

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Molecular Déjà Vu: Digit-Level Retrieval of Published Values in Frontier Language Models

Audit of 22 frontier models finds widespread verbatim retrieval of published molecular property values, with higher reasoning increasing recall of memorized numbers.

An arXiv audit tests 22 frontier LLMs across 12 molecular regression benchmarks for verbatim retrieval of published values. More than 50% of the LLMs show verbatim retrieval on five datasets, and identical experiments are flagged 89% more often at a high reasoning level than at the lowest one. Suppressing retrieval moves model prediction errors closer together in relative terms, suggesting predictive capability is not determined solely by memorized values.

arXiv cs.AI / cs.LG / cs.CL·Sep 4, 17:32 UTC · 11d agoAI research1

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Understanding the Impact of Model Pruning on Long-Tail Forgetting and Explanation Reliability in Medical Imaging

Systematic study finds model pruning causes frequency-dependent long-tail forgetting in medical imaging and that gradient-informed methods best preserve explanations.

Across two long-tailed medical imaging datasets, two CNN architectures, four pruning methods, and sparsity up to 95%, the study measures predictive performance, explanation stability, and faithfulness. Rare classes degrade earlier and more severely than frequent ones, while explanation reliability depends mainly on the pruning strategy, with gradient-informed methods degrading least. Mechanistic analysis ties explanation collapse to loss of class-discriminative gradients rather than vanishing feature activations, recommending class- and explanation-aware evaluation of compression.

arXiv cs.AI / cs.LG / cs.CL·Sep 7, 17:44 UTC · 8d agoAI research

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HypoEvolve: Genetic Algorithms Enable Multi-Agent LLMs to Discover Scientific Hypotheses

HypoEvolve couples a generational genetic algorithm with specialized LLM agents to generate drug-repurposing hypotheses, beating six baselines on DepMap selectivity (0.171 vs 0.115).

HypoEvolve coordinates specialized LLM agents through a generational genetic algorithm in which scientific judgments and new proposals reshape a hypothesis population. Evaluation centers on drug repurposing, linking mechanistic explanations to target-level biological claims assessed via external measures adapted from DepMap and Open Targets. Across 34 cancer types, HypoEvolve scores highest against six baselines on both measures, with DepMap selectivity of 0.171 versus 0.115 for the strongest baseline, and gains generalize to held-out cancer types.

arXiv cs.AI / cs.LG / cs.CL·Sep 14, 17:44 UTC · 1d agoAI research1

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Feyospace-v1: How the Cyber Mercury Seven Trained Frontier Cyber Models

A seven-person independent team trained open-weight agentic cyber models via a data-centric post-training framework, ranking 10th on CyberGym and first at comparable scale.

The paper presents Feyospace-v1, a data-centric post-training framework combining five systems: Choulea (hidden reasoning analysis), SkyReal (teacher-sampling cost reduction), Hongzwang (bypassing teacher API restrictions), PSBreakup (restoring capabilities weakened by model merging), and Kreator (converting expert interventions into trainable reasoning). The data engine builds resettable coding, vulnerability, CTF, kernel-history, full-exploit, firmware, and device-backed environments, retaining only execution-verified and evidence-audited trajectories, yielding 164,269 trajectories for long-context supervised fine-tuning. Three checkpoints improve over their starting models by an average of 23.76% on the full CyberGym suite and 10.49% across pooled CTF suites. As of September 1, 2026, Feyospace-s1 achieves a 63.24% verified success rate, ranks 10th on the official CyberGym leaderboard, and all three checkpoints rank 1st among models at comparable parameter scales.

Hugging Face daily papers·Sep 7, 20:00 UTC · 8d agoAI research

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Bridging Control, Inference, Transport, and Thermodynamics: From Theory to Applications in Learning

Review connects control theory, optimal transport, probabilistic inference, thermodynamics, and machine learning via free-energy optimization under constraints.

The review unifies five fields: control theory, optimal transport, probabilistic inference, non-equilibrium thermodynamics, and machine learning. The common conceptual thread is optimization of free-energy-like functionals under dynamical or statistical constraints. Selected applications are presented in reinforcement learning, variational inference, and generative modeling. The tutorial-style text assumes no prior familiarity and begins from physics principles.

arXiv cs.AI / cs.LG / cs.CL·Sep 14, 17:16 UTC · 1d agoAI research

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Meta FAIR Introduces AI Research Preference Models (RPMs): Ranking ML Experiments Before Spending GPU Hours

Meta FAIR, Oxford and UCL introduce Research Preference Models that rank unexecuted ML experiments, lifting AIRS-Bench scores from 0.684 to 0.729 and cutting compute ~1.6×.

Researchers from Meta FAIR, Oxford, and UCL introduce Research Preference Models (RPMs), which use frozen pretrained LLMs (Qwen3.6-27B backbone, no fine-tuning) to rank unexecuted experiment candidates and execute only the winner of a pairwise knockout tournament. Two variants shipped: an inference-only LLM-as-a-judge and an agentic variant that runs small pilot experiments in an H200 sandbox. On AIRS-Bench (20 tasks, 24 hours on one H200, 10 seeds), scores rise from 0.684 (random) to 0.711 and 0.729 versus a 0.748 validation oracle, and both variants reach the baseline's 24-hour score in roughly 15 hours. The team reports new SOTA on WinoGrande (94.1% with Agentic RPM) and SVAMP (95.7% with inference-only).

MarkTechPost·Sep 6, 20:25 UTC · 9d agoAI research

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General Quantification of Covariate and Concept Shifts

Paper proposes γ*-concept shifts via entropic optimal transport, deriving estimable generalization bounds unifying covariate and concept shift under distribution shift.

The authors show existing definitions of concept shift break when source and target supports mismatch and propose γ*-concept shifts grounded in entropic optimal transport. They derive a general error bound covering broad loss functions, label spaces and stochastic labeling, plus estimators with concentration guarantees. The resulting DataShifts algorithm quantifies distribution shifts and estimates the error bound in most applications, addressing learning bounds that were previously non-estimable from samples.

arXiv cs.AI / cs.LG / cs.CL·Sep 10, 17:57 UTC · 5d agoAI research1

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Explainability Assistant: A Conversational XAI Interface for Interpreting Energy Consumption Models

Researchers release Explainability Assistant, an open-source conversational XAI tool using LLM function calling, lifting intent-parsing accuracy from 76.8% to 94%.

The paper introduces the Explainability Assistant, an open-source conversational XAI system for interpreting energy consumption forecasting models such as genetic-programming symbolic regressors. It uses LLM function calling instead of rigid custom grammars, achieving 94% intent-parsing accuracy versus 76.8% for prior work TalkToModel, and adapts to different ML problem types without task-specific fine-tuning. Comparative evaluation with energy domain specialists against a traditional XAI dashboard showed improved usability, with all experts preferring the conversational interface.

arXiv cs.AI / cs.LG / cs.CL·Sep 10, 17:40 UTC · 5d agoAI research1

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Causal Foundation Models

A paper introduces causal foundation models (CFMs): pretrained networks that estimate treatment effects on new datasets via in-context learning without fine-tuning.

Causal foundation models (CFMs) apply the foundation-model paradigm to causal inference, replacing bespoke per-problem estimator pipelines with networks pretrained once at scale. CFMs estimate causal quantities such as the average treatment effect on entirely new datasets through in-context learning, without model updates. The work serves as a practical introduction to the emerging area, covering background in causal inference and machine learning and including example code and Jupyter notebooks.

Hugging Face daily papers·Sep 1, 20:00 UTC · 14d agoAI research

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LongAgent: History-Guided Agentic Search for Longitudinal Outcome Prediction

LongAgent autonomously searches variable sets and temporal windows to predict longitudinal medical outcomes, beating the strongest non-agent baseline on synthetic data.

The paper proposes LongAgent, an agent-based method that searches over combinations of variable sets, temporal windows and aggregation functions for outcome prediction on heterogeneous medical longitudinal data. It uses a history memory of previous searches and numerical evidence to guide exploration. On synthetic data it achieves mean RMSE 1.7376, improving over the best non-agent baseline by 0.0151 (95% CI [0.0045, 0.0260]; p=0.0273), and performs comparably to the best baseline on a real clinical dataset.

arXiv cs.AI / cs.LG / cs.CL·Sep 14, 16:51 UTC · 1d agoAI research

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Scaling Automatic Research Agents via World Models

WMRL replaces environment execution with a world model in RL, accelerating research-agent post-training 3-4x and letting 4B/9B agents beat 48B/120B open-weight agents.

The paper identifies that environment execution dominates RL training cost for automatic research agents because each execution occupies an exclusive sandbox while generation batches efficiently. World Model RL (WMRL) substitutes a learned world model for execution, with Online Debiasing and Inverse-Variance Denoising to handle reward bias and noise, and the paper proves both improve convergence guarantees. WMRL accelerates training 3-4x across tasks and outperforms standard RL baselines; post-trained 4B and 9B agents beat 48B and 120B open-weight agents on held-out benchmarks. WMRL also transfers to post-training embodied VLA policies.

Hugging Face daily papers·Aug 28, 20:00 UTC · 18d agoAI research1

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Quantum Feature Engineering for Credit Default Prediction: When and Why IQP Circuits Help Linear Classifiers

Quantum IQP circuit features lift logistic-regression credit-default F1 from 0.462 to 0.517, beating Kernel PCA at an equal feature budget.

Using the UCI Default of Credit Card Clients dataset and five-fold cross-validation, an 8-qubit IQP circuit adds 16 features that raise Logistic Regression F1 from 0.462 to 0.517 (+0.055, p < 0.0001). Kernel PCA, the best classical non-linear alternative, reaches only 0.493 at the same feature count, with the gap surviving Benjamini-Hochberg correction across 12 tests (p = 0.00007). Only the linear classifier benefits, pointing to a linear-expressivity mechanism. Feature selection matters: Random Forest importance-guided selection reaches F1 = 0.523 while maximally uncorrelated features drop to 0.496.

arXiv cs.AI / cs.LG / cs.CL·Sep 9, 17:41 UTC · 6d agoAI research

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NOAH: Learning the Full Patient Journey. A Longitudinal Multimodal Time-Aware Model for Representation and Forecasting

Researchers introduce NOAH, a generative time-aware transformer trained on 559 million MIMIC clinical events to model and forecast patient trajectories.

NOAH is a task-agnostic, time-aware generative transformer designed to represent and forecast the full multimodal patient journey across medical images, time-series signals, categorical events, and clinical text. It was trained on over 559 million clinical events from 431,000 hospital visits covering 299,000 patients in the MIMIC dataset family. The architecture combines bidirectional time integration with a variational latent space to capture continuous patient state evolution and clinical stochasticity. NOAH supports autoregressive forecasting with time control, zero-shot classification, and counterfactual intervention simulation, with evaluations on 15 ICD chapters, 29 comorbidities, and time-to-event prediction.

arXiv cs.AI / cs.LG / cs.CL·Sep 8, 17:56 UTC · 7d agoAI research2

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ConvMem: Convolutional Memory for Long-Context Reasoning

Researchers propose ConvMem, a training-free framework treating LLMs as convolutional kernels for parallelizable long-context reasoning beyond fixed context windows.

ConvMem reformulates long-context reasoning as a hierarchical convolution in which the LLM summarizes text segments hierarchically, shortening the reasoning path from a linear chain to a logarithmic tree. It uses configurable strides, skip connections, and multi-kernel convolution to capture evidence, decompose queries, and enable massive parallelization across segments and reasoning threads. On RULER-HotpotQA and RULER-2WikiMultiHopQA it outperforms training-free baselines and avoids the out-of-distribution overfitting seen in RL-trained approaches like MemAgent.

arXiv cs.AI / cs.LG / cs.CL·Sep 9, 16:53 UTC · 6d agoAI research

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Implementing a White-Box Undetectable Backdoor for Random Fourier Features

Researchers implement Goldwasser's CLWE-based undetectable backdoor for Random Fourier Features models in numpy/scipy, confirming practical realizability with no detectable differences from clean models.

The paper provides an end-to-end implementation of the Goldwasser et al. white-box undetectable backdoor for models trained with the Random Fourier Features algorithm, using only numpy and scipy. It derives two samplers for the core GP_d(b_k) distribution: a rejection-sampling proxy and an exact closed-form sampler verified against its analytic form. Statistical indistinguishability tests covering weight-space and functional black-box comparisons found no detectable difference between backdoored and clean models across sparsity ratios. The underlying lattice hardness reduction was not reproduced, and the work demonstrates the threat is realizable with commodity scientific-computing tools rather than specialized cryptographic infrastructure.

arXiv cs.CR·Sep 14, 22:18 UTC · 1d agoResearch

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NOAH: Learning the Full Patient Journey. A Longitudinal Multimodal Time-Aware Model for Representation and Forecasting

Researchers introduce NOAH, a time-aware generative transformer trained on 559 million MIMIC clinical events to forecast multimodal patient trajectories.

NOAH is a task-agnostic, time-aware generative transformer trained on over 559 million clinical events from 431,000 hospital visits by 299,000 patients across the MIMIC dataset family. It uses bidirectional time integration and a variational latent space to model the stochastic evolution of patient states, natively processing medical images, time-series signals, categorical events, and structured or unstructured clinical records. The model supports autoregressive forecasting with optional time control, zero-shot classification, and counterfactual intervention simulation, with strong probing performance across clinical outcomes, 15 ICD chapters, and 29 comorbidities.

Hugging Face daily papers·Sep 7, 20:00 UTC · 8d agoAI research1

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Diffusion Models and Concept Formation

Paper argues diffusion models implicitly form Cobweb-like concept hierarchies, with a basic level emerging at intermediate noise levels.

The authors draw a formal correspondence between diffusion models and Cobweb, a classic incremental concept-hierarchy learner, noting both are hierarchical Bayesian density models with Gaussian prototypes. Modes of the diffusion model's noisy marginals form a hierarchy whose basic level sits at intermediate noise, where class identity commits. The correspondence is tested on MNIST and Fashion-MNIST via mode-finding. Diffusion is reframed as a cognitive model of concept formation.

arXiv cs.AI / cs.LG / cs.CL·Sep 11, 16:43 UTC · 4d agoAI research

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