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 Inductive Learning



Learning from Hallucinating Critical Points for Navigation in Dynamic Environments

arXiv.org Artificial Intelligence

Generating large and diverse obstacle datasets to learn motion planning in environments with dynamic obstacles is challenging due to the vast space of possible obstacle trajectories. Inspired by hallucination-based data synthesis approaches, we propose Learning from Hallucinating Critical Points (LfH-CP), a self-supervised framework for creating rich dynamic obstacle datasets based on existing optimal motion plans without requiring expensive expert demonstrations or trial-and-error exploration. LfH-CP factorizes hallucination into two stages: first identifying when and where obstacles must appear in order to result in an optimal motion plan, i.e., the critical points, and then procedurally generating diverse trajectories that pass through these points while avoiding collisions. This factorization avoids generative failures such as mode collapse and ensures coverage of diverse dynamic behaviors. We further introduce a diversity metric to quantify dataset richness and show that LfH-CP produces substantially more varied training data than existing baselines. Experiments in simulation demonstrate that planners trained on LfH-CP datasets achieves higher success rates compared to a prior hallucination method.


MarS-FM: Generative Modeling of Molecular Dynamics via Markov State Models

arXiv.org Artificial Intelligence

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.


Simple yet Effective Semi-supervised Knowledge Distillation from Vision-Language Models via Dual-Head Optimization

arXiv.org Artificial Intelligence

Semi-supervised learning (SSL) has emerged as a practical solution for addressing data scarcity challenges by leveraging unlabeled data. Recently, vision-language models (VLMs), pre-trained on massive image-text pairs, have demonstrated remarkable zero-/few-shot performance that often surpasses SSL approaches due to their exceptional generalization capabilities. This gap motivates us to question: how can we effectively harness the powerful generalization capabilities of VLMs into task-specific models? Knowledge distillation (KD) offers a natural framework for transferring VLM capabilities, but we identify that it suffers from gradient conflicts between supervised and distillation losses. To address this challenge, we propose Dual-Head Optimization (DHO), which introduces dual prediction heads for each distinct signal. We observe that DHO resolves gradient conflicts, enabling improved feature learning compared to single-head KD baselines, with practical benefits of minimal computational overhead and test-time hyperparameter tuning without retraining. Extensive experiments across 15 datasets show that DHO consistently outperforms KD baselines, often outperforming teacher models with smaller student models. DHO also achieves new state-of-the-art performance on both in-distribution ImageNet semi-supervised learning and out-of-distribution generalization across ImageNet variants. We publicly release our code and model checkpoints to facilitate future research at https://github.com/erjui/DHO.


Self-supervised learning for phase retrieval

arXiv.org Artificial Intelligence

In recent years, deep neural networks have emerged as a solution for inverse imaging problems. These networks are generally trained using pairs of images: one degraded and the other of high quality, the latter being called 'ground truth'. However, in medical and scientific imaging, the lack of fully sampled data limits supervised learning. Recent advances have made it possible to reconstruct images from measurement data alone, eliminating the need for references. However, these methods remain limited to linear problems, excluding non-linear problems such as phase retrieval. We propose a self-supervised method that overcomes this limitation in the case of phase retrieval by using the natural invariance of images to translations.


Learning Adaptive Value of Information for Structured Prediction

Neural Information Processing Systems

Discriminative methods for learning structured models have enabled wide-spread use of very rich feature representations. However, the computational cost of feature extraction is prohibitive for large-scale or time-sensitive applications, often dominating the cost of inference in the models. Significant efforts have been devoted to sparsity-based model selection to decrease this cost. Such feature selection methods control computation statically and miss the opportunity to fine-tune feature extraction to each input at run-time. We address the key challenge of learning to control fine-grained feature extraction adaptively, exploiting non-homogeneity of the data.


Structured Learning via Logistic Regression

Neural Information Processing Systems

A successful approach to structured learning is to write the learning objective as a joint function of linear parameters and inference messages, and iterate between updates to each. This paper observes that if the inference problem is "smoothed" through the addition of entropy terms, for fixed messages, the learning objective reduces to a traditional (non-structured) logistic regression problem with respect to parameters. In these logistic regression problems, each training example has a bias term determined by the current set of messages. Based on this insight, the structured energy function can be extended from linear factors to any function class where an "oracle" exists to minimize a logistic loss.


Discriminative Transfer Learning with Tree-based Priors

Neural Information Processing Systems

This paper proposes a way of improving classification performance for classes which have very few training examples. The key idea is to discover classes which are similar and transfer knowledge among them. Our method organizes the classes into a tree hierarchy. The tree structure can be used to impose a generative prior over classification parameters. We show that these priors can be combined with discriminative models such as deep neural networks.


Direct 0-1 Loss Minimization and Margin Maximization with Boosting

Neural Information Processing Systems

We propose a boosting method, DirectBoost, a greedy coordinate descent algorithm that builds an ensemble classifier of weak classifiers through directly minimizing empirical classification error over labeled training examples; once the training classification error is reduced to a local coordinatewise minimum, DirectBoost runs a greedy coordinate ascent algorithm that continuously adds weak classifiers to maximize any targeted arbitrarily defined margins until reaching a local coordinatewise maximum of the margins in a certain sense. Experimental results on a collection of machine-learning benchmark datasets show that DirectBoost gives consistently better results than AdaBoost, LogitBoost, LPBoost with column generation and BrownBoost, and is noise tolerant when it maximizes an n'th order bottom sample margin.


Correlated random features for fast semi-supervised learning

Neural Information Processing Systems

This paper presents Correlated Nystrom Views (XNV), a fast semi-supervised algorithm for regression and classification. The algorithm draws on two main ideas. First, it generates two views consisting of computationally inexpensive random features. It has been shown that CCA regression can substantially reduce variance with a minimal increase in bias if the views contains accurate estimators. Recent theoretical and empirical work shows that regression with random features closely approximates kernel regression, implying that the accuracy requirement holds for random views.