Daily Papers

Effective instruction tuning is indispensable for optimizing code LLMs, aligning model behavior with user expectations and enhancing model performance in real-world applications. However, most existing methods focus on code snippets, which are limited to specific functionalities and rigid structures, restricting the complexity and diversity of the synthesized data. To address these limitations, we introduce a novel feature tree-based synthesis framework inspired by Abstract Syntax Trees (AST). Unlike AST, which captures syntactic structure of code, our framework models semantic relationships between code elements, enabling the generation of more nuanced and diverse data. The feature tree is constructed from raw data and refined iteratively to increase the quantity and diversity of the extracted features. This process enables the identification of more complex patterns and relationships within the code. By sampling subtrees with controlled depth and breadth, our framework allows precise adjustments to the complexity of the generated code, supporting a wide range of tasks from simple function-level operations to intricate multi-file scenarios. We fine-tuned widely-used base models to create the EpiCoder series, achieving state-of-the-art performance at both the function and file levels across multiple benchmarks. Notably, empirical evidence indicates that our approach shows significant potential in synthesizing highly complex repository-level code data. Further analysis elucidates the merits of this approach by rigorously assessing data complexity and diversity through software engineering principles and LLM-as-a-judge method.

This paper describes an optimized single-stage deep convolutional neural network to detect objects in urban environments, using nothing more than point cloud data. This feature enables our method to work regardless the time of the day and the lighting conditions.The proposed network structure employs dilated convolutions to gradually increase the perceptive field as depth increases, this helps to reduce the computation time by about 30%. The network input consists of five perspective representations of the unorganized point cloud data. The network outputs an objectness map and the bounding box offset values for each point. Our experiments showed that using reflection, range, and the position on each of the three axes helped to improve the location and orientation of the output bounding box. We carried out quantitative evaluations with the help of the KITTI dataset evaluation server. It achieved the fastest processing speed among the other contenders, making it suitable for real-time applications. We implemented and tested it on a real vehicle with a Velodyne HDL-64 mounted on top of it. We achieved execution times as fast as 50 FPS using desktop GPUs, and up to 10 FPS on a single Intel Core i5 CPU. The deploy implementation is open-sourced and it can be found as a feature branch inside the autonomous driving framework Autoware. Code is available at: https://github.com/CPFL/Autoware/tree/feature/cnn_lidar_detection

Automatic tree density estimation and counting using single aerial and satellite images is a challenging task in photogrammetry and remote sensing, yet has an important role in forest management. In this paper, we propose the first semisupervised transformer-based framework for tree counting which reduces the expensive tree annotations for remote sensing images. Our method, termed as TreeFormer, first develops a pyramid tree representation module based on transformer blocks to extract multi-scale features during the encoding stage. Contextual attention-based feature fusion and tree density regressor modules are further designed to utilize the robust features from the encoder to estimate tree density maps in the decoder. Moreover, we propose a pyramid learning strategy that includes local tree density consistency and local tree count ranking losses to utilize unlabeled images into the training process. Finally, the tree counter token is introduced to regulate the network by computing the global tree counts for both labeled and unlabeled images. Our model was evaluated on two benchmark tree counting datasets, Jiangsu, and Yosemite, as well as a new dataset, KCL-London, created by ourselves. Our TreeFormer outperforms the state of the art semi-supervised methods under the same setting and exceeds the fully-supervised methods using the same number of labeled images. The codes and datasets are available at https://github.com/HAAClassic/TreeFormer.

Transfer entropy (TE) is an information theoretic measure that reveals the directional flow of information between processes, providing valuable insights for a wide range of real-world applications. This work proposes Transfer Entropy Estimation via Transformers (TREET), a novel attention-based approach for estimating TE for stationary processes. The proposed approach employs Donsker-Varadhan representation to TE and leverages the attention mechanism for the task of neural estimation. We propose a detailed theoretical and empirical study of the TREET, comparing it to existing methods on a dedicated estimation benchmark. To increase its applicability, we design an estimated TE optimization scheme that is motivated by the functional representation lemma, and use it to estimate the capacity of communication channels with memory, which is a canonical optimization problem in information theory. We further demonstrate how an optimized TREET can be used to estimate underlying densities, providing experimental results. Finally, we apply TREET to feature analysis of patients with Apnea, demonstrating its applicability to real-world physiological data. Our work, applied with state-of-the-art deep learning methods, opens a new door for communication problems which are yet to be solved.

This paper aims to quantitatively explain rationales of each prediction that is made by a pre-trained convolutional neural network (CNN). We propose to learn a decision tree, which clarifies the specific reason for each prediction made by the CNN at the semantic level. I.e., the decision tree decomposes feature representations in high conv-layers of the CNN into elementary concepts of object parts. In this way, the decision tree tells people which object parts activate which filters for the prediction and how much they contribute to the prediction score. Such semantic and quantitative explanations for CNN predictions have specific values beyond the traditional pixel-level analysis of CNNs. More specifically, our method mines all potential decision modes of the CNN, where each mode represents a common case of how the CNN uses object parts for prediction. The decision tree organizes all potential decision modes in a coarse-to-fine manner to explain CNN predictions at different fine-grained levels. Experiments have demonstrated the effectiveness of the proposed method.

In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments. To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.

Pixel-level feature attributions are an important tool in eXplainable AI for Computer Vision (XCV), providing visual insights into how image features influence model predictions. The Owen formula for hierarchical Shapley values has been widely used to interpret machine learning (ML) models and their learned representations. However, existing hierarchical Shapley approaches do not exploit the multiscale structure of image data, leading to slow convergence and weak alignment with the actual morphological features. Moreover, no prior Shapley method has leveraged data-aware hierarchies for Computer Vision tasks, leaving a gap in model interpretability of structured visual data. To address this, this paper introduces ShapBPT, a novel data-aware XCV method based on the hierarchical Shapley formula. ShapBPT assigns Shapley coefficients to a multiscale hierarchical structure tailored for images, the Binary Partition Tree (BPT). By using this data-aware hierarchical partitioning, ShapBPT ensures that feature attributions align with intrinsic image morphology, effectively prioritizing relevant regions while reducing computational overhead. This advancement connects hierarchical Shapley methods with image data, providing a more efficient and semantically meaningful approach to visual interpretability. Experimental results confirm ShapBPT's effectiveness, demonstrating superior alignment with image structures and improved efficiency over existing XCV methods, and a 20-subject user study confirming that ShapBPT explanations are preferred by humans.

Despite the improved accuracy of deep neural networks, the discovery of adversarial examples has raised serious safety concerns. Most existing approaches for crafting adversarial examples necessitate some knowledge (architecture, parameters, etc.) of the network at hand. In this paper, we focus on image classifiers and propose a feature-guided black-box approach to test the safety of deep neural networks that requires no such knowledge. Our algorithm employs object detection techniques such as SIFT (Scale Invariant Feature Transform) to extract features from an image. These features are converted into a mutable saliency distribution, where high probability is assigned to pixels that affect the composition of the image with respect to the human visual system. We formulate the crafting of adversarial examples as a two-player turn-based stochastic game, where the first player's objective is to minimise the distance to an adversarial example by manipulating the features, and the second player can be cooperative, adversarial, or random. We show that, theoretically, the two-player game can con- verge to the optimal strategy, and that the optimal strategy represents a globally minimal adversarial image. For Lipschitz networks, we also identify conditions that provide safety guarantees that no adversarial examples exist. Using Monte Carlo tree search we gradually explore the game state space to search for adversarial examples. Our experiments show that, despite the black-box setting, manipulations guided by a perception-based saliency distribution are competitive with state-of-the-art methods that rely on white-box saliency matrices or sophisticated optimization procedures. Finally, we show how our method can be used to evaluate robustness of neural networks in safety-critical applications such as traffic sign recognition in self-driving cars.

Many applied problems contain signal that becomes clear only after combining multiple raw measurements. Ratios and rates are common examples. In gradient boosted trees, this combination is not an explicit operation: the model must synthesize it through coordinated splits on the component features. We study whether intra-tree column subsampling in XGBoost makes that synthesis harder. We use two synthetic data generating processes with cancellation-style structure. In both, two primitive features share a strong nuisance factor, while the target depends on a smaller differential factor. A log ratio cancels the nuisance and isolates the signal. We vary colsample_bylevel and colsample_bynode over s in {0.4, 0.6, 0.8, 0.9}, emphasizing mild subsampling (s >= 0.8). A control feature set includes the engineered ratio, removing the need for synthesis. Across both processes, intra-tree column subsampling reduces test PR-AUC in the primitives-only setting. In the main process the relative decrease reaches 54 percent when both parameters are set to 0.4. The effect largely disappears when the engineered ratio is present. A path-based co-usage metric drops in the same cells where performance deteriorates. Practically, if ratio-like structure is plausible, either avoid intra-tree subsampling or include the intended ratio features.

Reducing computational complexity remains a critical challenge for the widespread adoption of learning-based image compression techniques. In this work, we propose TreeNet, a novel low-complexity image compression model that leverages a binary tree-structured encoder-decoder architecture to achieve efficient representation and reconstruction. We employ attentional feature fusion mechanism to effectively integrate features from multiple branches. We evaluate TreeNet on three widely used benchmark datasets and compare its performance against competing methods including JPEG AI, a recent standard in learning-based image compression. At low bitrates, TreeNet achieves an average improvement of 4.83% in BD-rate over JPEG AI, while reducing model complexity by 87.82%. Furthermore, we conduct extensive ablation studies to investigate the influence of various latent representations within TreeNet, offering deeper insights into the factors contributing to reconstruction.

The state space models, employing recursively propagated features, demonstrate strong representation capabilities comparable to Transformer models and superior efficiency. However, constrained by the inherent geometric constraints of sequences, it still falls short in modeling long-range dependencies. To address this issue, we propose the GrootVL network, which first dynamically generates a tree topology based on spatial relationships and input features. Then, feature propagation is performed based on this graph, thereby breaking the original sequence constraints to achieve stronger representation capabilities. Additionally, we introduce a linear complexity dynamic programming algorithm to enhance long-range interactions without increasing computational cost. GrootVL is a versatile multimodal framework that can be applied to both visual and textual tasks. Extensive experiments demonstrate that our method significantly outperforms existing structured state space models on image classification, object detection and segmentation. Besides, by fine-tuning large language models, our approach achieves consistent improvements in multiple textual tasks at minor training cost.

In high-stakes settings such as brand compliance, clinical care, and content moderation, machine learning cannot be deployed as opaque oracles: practitioners inspect the features driving model decisions, and models must leverage the expert documentation governing these domains. In practice, the data arrives as unstructured content, and features extracted from it must be interpretable, discriminative, and aligned with what experts consider important. Existing methods fall short: they target tabular inputs, lack demonstrated expert alignment, and cannot operationalize qualitative criteria such as 'maintain professional tone' into precise features. We present FEST (Feature Engineering with Self-evolving Trees), combining dual-stream feature generation (semantic and deterministic), semantic deduplication, and tree-guided iterative evolution to discover auditable features from raw text and images. FEST leads in 17 of 20 classifier-task combinations across brand classification, content authenticity detection, and stress detection, with a mean gain of 4.2 pp over the strongest baseline across five classifiers. An LLM-as-judge evaluation shows FEST achieves 60-80% coverage of expert-designed brand features at strict semantic-alignment thresholds, corroborated by a human expert study rating features highly on relevance, clarity, and actionability. When seeded with expert guidelines, FEST refines qualitative criteria into operational features, improving accuracy by 6-12 pp on average across brands. To enable systematic evaluation of expert alignment in automated feature engineering, we release BrandGuide, the first dataset pairing expert-designed features with 1M+ assets across 2,683 brands. By grounding feature engineering in expert knowledge, FEST opens a practical pathway for interpretable ML in domains demanding human oversight.

In this paper, we address the problem of degradation in inpainting quality of neural networks operating at high resolutions. Inpainting networks are often unable to generate globally coherent structures at resolutions higher than their training set. This is partially attributed to the receptive field remaining static, despite an increase in image resolution. Although downscaling the image prior to inpainting produces coherent structure, it inherently lacks detail present at higher resolutions. To get the best of both worlds, we optimize the intermediate featuremaps of a network by minimizing a multiscale consistency loss at inference. This runtime optimization improves the inpainting results and establishes a new state-of-the-art for high resolution inpainting. Code is available at: https://github.com/geomagical/lama-with-refiner/tree/refinement.

Over the past decade, Deep Convolutional Neural Networks (DCNNs) have shown remarkable performance in most computer vision tasks. These tasks traditionally use a fixed dataset, and the model, once trained, is deployed as is. Adding new information to such a model presents a challenge due to complex training issues, such as "catastrophic forgetting", and sensitivity to hyper-parameter tuning. However, in this modern world, data is constantly evolving, and our deep learning models are required to adapt to these changes. In this paper, we propose an adaptive hierarchical network structure composed of DCNNs that can grow and learn as new data becomes available. The network grows in a tree-like fashion to accommodate new classes of data, while preserving the ability to distinguish the previously trained classes. The network organizes the incrementally available data into feature-driven super-classes and improves upon existing hierarchical CNN models by adding the capability of self-growth. The proposed hierarchical model, when compared against fine-tuning a deep network, achieves significant reduction of training effort, while maintaining competitive accuracy on CIFAR-10 and CIFAR-100.

Repository summarization is a crucial research question in development and maintenance for software engineering. Existing repository summarization techniques primarily focus on summarizing code according to the directory tree, which is insufficient for tracing high-level features to the methods that collaboratively implement them. To address these limitations, we propose RepoSummary, a feature-oriented code repository summarization approach that simultaneously generates repository documentation automatically. Furthermore, it establishes more accurate traceability links from functional features to the corresponding code elements, enabling developers to rapidly locate relevant methods and files during code comprehension and maintenance. Comprehensive experiments against the state-of-the-art baseline (HGEN) demonstrate that RepoSummary achieves higher feature coverage and more accurate traceability. On average, it increases the rate of completely covered features in manual documentation from 61.2% to 71.1%, improves file-level traceability recall from 29.9% to 53.0%, and generates documentation that is more conceptually consistent, easier to understand, and better formatted than that produced by existing approaches.

We propose a machine learning-based extension of the classical binomial option pricing model that incorporates key market microstructure effects. Traditional models assume frictionless markets, overlooking empirical features such as bid-ask spreads, discrete price movements, and serial return correlations. Our framework augments the binomial tree with path-dependent transition probabilities estimated via Random Forest classifiers trained on high-frequency market data. This approach preserves no-arbitrage conditions while embedding real-world trading dynamics into the pricing model. Using 46,655 minute-level observations of SPY from January to June 2025, we achieve an AUC of 88.25% in forecasting one-step price movements. Order flow imbalance is identified as the most influential predictor, contributing 43.2% to feature importance. After resolving time-scaling inconsistencies in tree construction, our model yields option prices that deviate by 13.79% from Black-Scholes benchmarks, highlighting the impact of microstructure on fair value estimation. While computational limitations restrict the model to short-term derivatives, our results offer a robust, data-driven alternative to classical pricing methods grounded in empirical market behavior.

Large models have achieved remarkable performance across various tasks, yet they incur significant computational costs and privacy concerns during both training and inference. Distributed deployment has emerged as a potential solution, but it necessitates the exchange of intermediate information between model segments, with feature representations serving as crucial information carriers. To optimize information exchange, feature coding methods are applied to reduce transmission and storage overhead. Despite its importance, feature coding for large models remains an under-explored area. In this paper, we draw attention to large model feature coding and make three contributions to this field. First, we introduce a comprehensive dataset encompassing diverse features generated by three representative types of large models. Second, we establish unified test conditions, enabling standardized evaluation pipelines and fair comparisons across future feature coding studies. Third, we introduce two baseline methods derived from widely used image coding techniques and benchmark their performance on the proposed dataset. These contributions aim to advance the field of feature coding, facilitating more efficient large model deployment. All source code and the dataset are now available at https://github.com/chansongoal/FCM-LM/tree/master{https://github.com/chansongoal/FCM-LM/tree/master}.

Eliminating examination bias accurately is pivotal to apply click-through data to train an unbiased ranking model. However, most examination-bias estimators are limited to the hypothesis of Position-Based Model (PBM), which supposes that the calculation of examination bias only depends on the rank of the document. Recently, although some works introduce information such as clicks in the same query list and contextual information when calculating the examination bias, they still do not model the impact of document representation on search engine result pages (SERPs) that seriously affects one's perception of document relevance to a query when examining. Therefore, we propose a Multi-Feature Integration Model (MFIM) where the examination bias depends on the representation of document except the rank of it. Furthermore, we mine a key factor slipoff counts that can indirectly reflects the influence of all perception-bias factors. Real world experiments on Baidu-ULTR dataset demonstrate the superior effectiveness and robustness of the new approach. The source code is available at https://github.com/lixsh6/Tencent_wsdm_cup2023/tree/main/pytorch_unbias{https://github.com/lixsh6/Tencent\_wsdm\_cup2023}

Knowledge distillation is often used to transfer knowledge from a strong teacher model to a relatively weak student model. Traditional methods include response-based methods and feature-based methods. Response-based methods are widely used but suffer from lower upper limits of performance due to their ignorance of intermediate signals, while feature-based methods have constraints on vocabularies, tokenizers and model architectures. In this paper, we propose a liberal feature-based distillation method (LEAD). LEAD aligns the distribution between the intermediate layers of teacher model and student model, which is effective, extendable, portable and has no requirements on vocabularies, tokenizers, or model architectures. Extensive experiments show the effectiveness of LEAD on widely-used benchmarks, including MS MARCO Passage Ranking, TREC 2019 DL Track, MS MARCO Document Ranking and TREC 2020 DL Track. Our code is available in https://github.com/microsoft/SimXNS/tree/main/LEAD.

Neural architectures such as Recurrent Neural Networks (RNNs), Transformers, and State-Space Models have shown great success in handling sequential data by learning temporal dependencies. Decision Trees (DTs), on the other hand, remain a widely used class of models for structured tabular data but are typically not designed to capture sequential patterns directly. Instead, DT-based approaches for time-series data often rely on feature engineering, such as manually incorporating lag features, which can be suboptimal for capturing complex temporal dependencies. To address this limitation, we introduce ReMeDe Trees, a novel recurrent DT architecture that integrates an internal memory mechanism, similar to RNNs, to learn long-term dependencies in sequential data. Our model learns hard, axis-aligned decision rules for both output generation and state updates, optimizing them efficiently via gradient descent. We provide a proof-of-concept study on synthetic benchmarks to demonstrate the effectiveness of our approach.

Random forests and, more generally, (decision\nobreakdash-)tree ensembles are widely used methods for classification and regression. Recent algorithmic advances allow to compute decision trees that are optimal for various measures such as their size or depth. We are not aware of such research for tree ensembles and aim to contribute to this area. Mainly, we provide two novel algorithms and corresponding lower bounds. First, we are able to carry over and substantially improve on tractability results for decision trees, obtaining a (6delta D S)^S cdot poly-time algorithm, where S is the number of cuts in the tree ensemble, D the largest domain size, and delta is the largest number of features in which two examples differ. To achieve this, we introduce the witness-tree technique which also seems promising for practice. Second, we show that dynamic programming, which has been successful for decision trees, may also be viable for tree ensembles, providing an ell^n cdot poly-time algorithm, where ell is the number of trees and n the number of examples. Finally, we compare the number of cuts necessary to classify training data sets for decision trees and tree ensembles, showing that ensembles may need exponentially fewer cuts for increasing number of trees.

Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning tasks. We examine four key reasoning approaches: Chain of Thought, Tree of Thoughts, Retrieval-Augmented Generation, and Thought Space Exploration. Our analysis reveals how these approaches can be used to identify effective feature generation rules without having to manually specify search spaces. The paper categorizes LLM-based feature generation methods across various domains including finance, healthcare, and text analytics. LLMs can extract key information from clinical notes and radiology reports in healthcare, by enabling more efficient data utilization. In finance, LLMs facilitate text generation, summarization, and entity extraction from complex documents. We analyze evaluation methodologies for assessing feature quality and downstream performance, with particular attention to OCTree's decision tree reasoning approach that provides language-based feedback for iterative improvements. Current challenges include hallucination, computational efficiency, and domain adaptation. As of March 2025, emerging approaches include inference-time compute scaling, reinforcement learning, and supervised fine-tuning with model distillation. Future directions point toward multimodal feature generation, self-improving systems, and neuro-symbolic approaches. This paper provides a detailed overview of an emerging field that promises to automate and enhance feature engineering through language model reasoning.

Parse graphs of the human body can be obtained in the human brain to help humans complete the human pose estimation (HPE). It contains a hierarchical structure, like a tree structure, and context relations among nodes. Many researchers pre-design the parse graph of body structure, and then design framework for HPE. However, these frameworks are difficulty adapting when encountering situations that differ from the preset human structure. Different from them, we regard the feature map as a whole, similarly to human body, so the feature map can be optimized based on parse graphs and each node feature is learned implicitly instead of explicitly, which means it can flexibly respond to different human body structure. In this paper, we design the Refinement Module based on the Parse Graph of feature map (RMPG), which includes two stages: top-down decomposition and bottom-up combination. In the top-down decomposition stage, the feature map is decomposed into multiple sub-feature maps along the channel and their context relations are calculated to obtain their respective context information. In the bottom-up combination stage, the sub-feature maps and their context information are combined to obtain refined sub-feature maps, and then these refined sub-feature maps are concatenated to obtain the refined feature map. Additionally ,we design a top-down framework by using multiple RMPG modules for HPE, some of which are supervised to obtain context relations among body parts. Our framework achieves excellent results on the COCO keypoint detection, CrowdPose and MPII human pose datasets. More importantly, our experiments also demonstrate the effectiveness of RMPG on different methods, including SimpleBaselines, Hourglass, and ViTPose.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

Brain stroke remains one of the principal causes of death and disability worldwide, yet most tabular-data prediction models still hover below the 95% accuracy threshold, limiting real-world utility. Addressing this gap, the present work develops and validates a completely data-driven and interpretable machine-learning framework designed to predict strokes using ten routinely gathered demographic, lifestyle, and clinical variables sourced from a public cohort of 4,981 records. We employ a detailed exploratory data analysis (EDA) to understand the dataset's structure and distribution, followed by rigorous data preprocessing, including handling missing values, outlier removal, and class imbalance correction using Synthetic Minority Over-sampling Technique (SMOTE). To streamline feature selection, point-biserial correlation and random-forest Gini importance were utilized, and ten varied algorithms-encompassing tree ensembles, boosting, kernel methods, and a multilayer neural network-were optimized using stratified five-fold cross-validation. Their predictions based on probabilities helped us build the proposed model, which included Random Forest, XGBoost, LightGBM, and a support-vector classifier, with logistic regression acting as a meta-learner. The proposed model achieved an accuracy rate of 97.2% and an F1-score of 97.15%, indicating a significant enhancement compared to the leading individual model, LightGBM, which had an accuracy of 91.4%. Our study's findings indicate that rigorous preprocessing, coupled with a diverse hybrid model, can convert low-cost tabular data into a nearly clinical-grade stroke-risk assessment tool.

As computer vision continues to advance and finds widespread applications across various domains, the need for interpretability in deep learning models becomes paramount. Existing methods often resort to post-hoc techniques or prototypes to explain the decision-making process, which can be indirect and lack intrinsic illustration. In this research, we introduce ViTree, a novel approach for fine-grained visual categorization that combines the popular vision transformer as a feature extraction backbone with neural decision trees. By traversing the tree paths, ViTree effectively selects patches from transformer-processed features to highlight informative local regions, thereby refining representations in a step-wise manner. Unlike previous tree-based models that rely on soft distributions or ensembles of paths, ViTree selects a single tree path, offering a clearer and simpler decision-making process. This patch and path selectivity enhances model interpretability of ViTree, enabling better insights into the model's inner workings. Remarkably, extensive experimentation validates that this streamlined approach surpasses various strong competitors and achieves state-of-the-art performance while maintaining exceptional interpretability which is proved by multi-perspective methods. Code can be found at https://github.com/SJTU-DeepVisionLab/ViTree.

Lossless speculative decoding accelerates target large language model (LLM) inference by employing a lightweight draft model for generating tree-structured candidates, which are subsequently verified in parallel by the target LLM. Currently, effective approaches leverage feature-level rather than token-level autoregression within the draft model to facilitate more straightforward predictions and enhanced knowledge distillation. In this paper, we reassess these approaches and propose FSPAD (Feature Sampling and Partial Alignment Distillation for Lossless Speculative Decoding), which introduces two straightforward and effective components within the existing framework to boost lossless speculative decoding. Firstly, FSPAD utilizes token embeddings to sample features of the target LLM in high-dimensional space before feeding them into the draft model, due to the inherent uncertainty of the features preventing the draft model from obtaining the specific token output by the target LLM. Secondly, FSPAD introduces partial alignment distillation to weaken the draft model's connection between features and logits, aiming to reduce the conflict between feature alignment and logit confidence during training. Our experiments include both greedy and non-greedy decoding on the largest and smallest models from the Vicuna and LLaMA3-Instruct series, as well as tasks in multi-turn conversation, translation, summarization, question answering, mathematical reasoning, and retrieval-augmented generation. The results show that FSPAD outperforms the state-of-the-art method across all the aforementioned tasks and target LLMs.

Federated learning has emerged as a promising distributed learning paradigm that facilitates collaborative learning among multiple parties without transferring raw data. However, most existing federated learning studies focus on either horizontal or vertical data settings, where the data of different parties are assumed to be from the same feature or sample space. In practice, a common scenario is the hybrid data setting, where data from different parties may differ both in the features and samples. To address this, we propose HybridTree, a novel federated learning approach that enables federated tree learning on hybrid data. We observe the existence of consistent split rules in trees. With the help of these split rules, we theoretically show that the knowledge of parties can be incorporated into the lower layers of a tree. Based on our theoretical analysis, we propose a layer-level solution that does not need frequent communication traffic to train a tree. Our experiments demonstrate that HybridTree can achieve comparable accuracy to the centralized setting with low computational and communication overhead. HybridTree can achieve up to 8 times speedup compared with the other baselines.

While learning models are typically studied for inputs in the form of a fixed dimensional feature vector, real world data is rarely found in this form. In order to meet the basic requirement of traditional learning models, structural data generally have to be converted into fix-length vectors in a handcrafted manner, which is tedious and may even incur information loss. A common form of structured data is what we term "semantic tree-structures", corresponding to data where rich semantic information is encoded in a compositional manner, such as those expressed in JavaScript Object Notation (JSON) and eXtensible Markup Language (XML). For tree-structured data, several learning models have been studied to allow for working directly on raw tree-structure data, However such learning models are limited to either a specific tree-topology or a specific tree-structured data format, e.g., synthetic parse trees. In this paper, we propose a novel framework for end-to-end learning on generic semantic tree-structured data of arbitrary topology and heterogeneous data types, such as data expressed in JSON, XML and so on. Motivated by the works in recursive and recurrent neural networks, we develop exemplar neural implementations of our framework for the JSON format. We evaluate our approach on several UCI benchmark datasets, including ablation and data-efficiency studies, and on a toy reinforcement learning task. Experimental results suggest that our framework yields comparable performance to use of standard models with dedicated feature-vectors in general, and even exceeds baseline performance in cases where compositional nature of the data is particularly important. The source code for a JSON-based implementation of our framework along with experiments can be downloaded at https://github.com/EndingCredits/json2vec.

Visual grounding, a task to ground (i.e., localize) natural language in images, essentially requires composite visual reasoning. However, existing methods over-simplify the composite nature of language into a monolithic sentence embedding or a coarse composition of subject-predicate-object triplet. In this paper, we propose to ground natural language in an intuitive, explainable, and composite fashion as it should be. In particular, we develop a novel modular network called Neural Module Tree network (NMTree) that regularizes the visual grounding along the dependency parsing tree of the sentence, where each node is a neural module that calculates visual attention according to its linguistic feature, and the grounding score is accumulated in a bottom-up direction where as needed. NMTree disentangles the visual grounding from the composite reasoning, allowing the former to only focus on primitive and easy-to-generalize patterns. To reduce the impact of parsing errors, we train the modules and their assembly end-to-end by using the Gumbel-Softmax approximation and its straight-through gradient estimator, accounting for the discrete nature of module assembly. Overall, the proposed NMTree consistently outperforms the state-of-the-arts on several benchmarks. Qualitative results show explainable grounding score calculation in great detail.

Classification is essential to the applications in the field of data mining, artificial intelligence, and fault detection. There exists a strong need in developing accurate, suitable, and efficient classification methods and algorithms with broad applicability. Random forest is a general algorithm that is often used for classification under complex conditions. Although it has been widely adopted, its combination with diverse fuzzy theory is still worth exploring. In this paper, we propose the intuitionistic fuzzy random forest (IFRF), a new random forest ensemble of intuitionistic fuzzy decision trees (IFDT). Such trees in forest use intuitionistic fuzzy information gain to select features and consider hesitation in information transmission. The proposed method enjoys the power of the randomness from bootstrapped sampling and feature selection, the flexibility of fuzzy logic and fuzzy sets, and the robustness of multiple classifier systems. Extensive experiments demonstrate that the IFRF has competitative and superior performance compared to other state-of-the-art fuzzy and ensemble algorithms. IFDT is more suitable for ensemble learning with outstanding classification accuracy. This study is the first to propose a random forest ensemble based on the intuitionistic fuzzy theory.

Tabular data is one of the most commonly used types of data in machine learning. Despite recent advances in neural nets (NNs) for tabular data, there is still an active discussion on whether or not NNs generally outperform gradient-boosted decision trees (GBDTs) on tabular data, with several recent works arguing either that GBDTs consistently outperform NNs on tabular data, or vice versa. In this work, we take a step back and question the importance of this debate. To this end, we conduct the largest tabular data analysis to date, comparing 19 algorithms across 176 datasets, and we find that the 'NN vs. GBDT' debate is overemphasized: for a surprisingly high number of datasets, either the performance difference between GBDTs and NNs is negligible, or light hyperparameter tuning on a GBDT is more important than choosing between NNs and GBDTs. A remarkable exception is the recently-proposed prior-data fitted network, TabPFN: although it is effectively limited to training sets of size 3000, we find that it outperforms all other algorithms on average, even when randomly sampling 3000 training datapoints. Next, we analyze dozens of metafeatures to determine what properties of a dataset make NNs or GBDTs better-suited to perform well. For example, we find that GBDTs are much better than NNs at handling skewed or heavy-tailed feature distributions and other forms of dataset irregularities. Our insights act as a guide for practitioners to determine which techniques may work best on their dataset. Finally, with the goal of accelerating tabular data research, we release the TabZilla Benchmark Suite: a collection of the 36 'hardest' of the datasets we study. Our benchmark suite, codebase, and all raw results are available at https://github.com/naszilla/tabzilla.

Bangla Handwritten Digit recognition is a significant step forward in the development of Bangla OCR. However, intricate shape, structural likeness and distinctive composition style of Bangla digits makes it relatively challenging to distinguish. Thus, in this paper, we benchmarked four rigorous classifiers to recognize Bangla Handwritten Digit: K-Nearest Neighbor (KNN), Support Vector Machine (SVM), Random Forest (RF), and Gradient-Boosted Decision Trees (GBDT) based on three handcrafted feature extraction techniques: Histogram of Oriented Gradients (HOG), Local Binary Pattern (LBP), and Gabor filter on four publicly available Bangla handwriting digits datasets: NumtaDB, CMARTdb, Ekush and BDRW. Here, handcrafted feature extraction methods are used to extract features from the dataset image, which are then utilized to train machine learning classifiers to identify Bangla handwritten digits. We further fine-tuned the hyperparameters of the classification algorithms in order to acquire the finest Bangla handwritten digits recognition performance from these algorithms, and among all the models we employed, the HOG features combined with SVM model (HOG+SVM) attained the best performance metrics across all datasets. The recognition accuracy of the HOG+SVM method on the NumtaDB, CMARTdb, Ekush and BDRW datasets reached 93.32%, 98.08%, 95.68% and 89.68%, respectively as well as we compared the model performance with recent state-of-art methods.

We present NOTAI.AI, an explainable framework for machine-generated text detection that extends Fast-DetectGPT by integrating curvature-based signals with neural and stylometric features in a supervised setting. The system combines 17 interpretable features, including Conditional Probability Curvature, ModernBERT detector score, readability metrics, and stylometric cues, within a gradient-boosted tree (XGBoost) meta-classifier to determine whether a text is human- or AI-generated. Furthermore, NOTAI.AI applies Shapley Additive Explanations (SHAP) to provide both local and global feature-level attribution. These attributions are further translated into structured natural-language rationales through an LLM-based explanation layer, which enables user-facing interpretability. The system is deployed as an interactive web application that supports real-time analysis, visual feature inspection, and structured evidence presentation. A web interface allows users to input text and inspect how neural and statistical signals influence the final decision. The source code and demo video are publicly available to support reproducibility.

Agriculture is increasingly challenged by climate change, soil degradation, and resource depletion, and hence requires advanced data-driven crop classification and recommendation solutions. This work presents an explainable ensemble learning paradigm that fuses optimized feature pyramids, deep networks, self-attention mechanisms, and residual networks for bolstering crop suitability predictions based on soil characteristics (e.g., pH, nitrogen, potassium) and climatic conditions (e.g., temperature, rainfall). With a dataset comprising 3,867 instances and 29 features from the Ethiopian Agricultural Transformation Agency and NASA, the paradigm leverages preprocessing methods such as label encoding, outlier removal using IQR, normalization through StandardScaler, and SMOTE for balancing classes. A range of machine learning models such as Logistic Regression, K-Nearest Neighbors, Support Vector Machines, Decision Trees, Random Forest, Gradient Boosting, and a new Relative Error Support Vector Machine are compared, with hyperparameter tuning through Grid Search and cross-validation. The suggested "Final Ensemble" meta-ensemble design outperforms with 98.80% accuracy, precision, recall, and F1-score, compared to individual models such as K-Nearest Neighbors (95.56% accuracy). Explainable AI methods, such as SHAP and permutation importance, offer actionable insights, highlighting critical features such as soil pH, nitrogen, and zinc. The paradigm addresses the gap between intricate ML models and actionable agricultural decision-making, fostering sustainability and trust in AI-powered recommendations

Epilepsy is one of the most prevalent brain disorders that disrupts the lives of millions worldwide. For patients with drug-resistant seizures, there exist implantable devices capable of monitoring neural activity, promptly triggering neurostimulation to regulate seizures, or alerting patients of potential episodes. Next-generation seizure detection systems heavily rely on high-accuracy machine learning-based classifiers to detect the seizure onset. Here, we propose to enhance the seizure detection performance by learning informative embeddings of the EEG signal. We empirically demonstrate, for the first time, that converting raw EEG signals to appropriate embeddings can significantly boost the performance of seizure detection algorithms. Importantly, we show that embedding features, which converts the raw EEG into an alternative representation, is beneficial for various machine learning models such as Logistic Regression, Multi-Layer Perceptron, Support Vector Machines, and Gradient Boosted Trees. The experiments were conducted on the CHB-MIT scalp EEG dataset. With the proposed EEG feature embeddings, we achieve significant improvements in sensitivity, specificity, and AUC score across multiple models. By employing this approach alongside an SVM classifier, we were able to attain state-of-the-art classification performance with a sensitivity of 100% and specificity of 99%, setting a new benchmark in the field.

In the field of decision trees, most previous studies have difficulty ensuring the statistical optimality of a prediction of new data and suffer from overfitting because trees are usually used only to represent prediction functions to be constructed from given data. In contrast, some studies, including this paper, used the trees to represent stochastic data observation processes behind given data. Moreover, they derived the statistically optimal prediction, which is robust against overfitting, based on the Bayesian decision theory by assuming a prior distribution for the trees. However, these studies still have a problem in computing this Bayes optimal prediction because it involves an infeasible summation for all division patterns of a feature space, which is represented by the trees and some parameters. In particular, an open problem is a summation with respect to combinations of division axes, i.e., the assignment of features to inner nodes of the tree. We solve this by a Markov chain Monte Carlo method, whose step size is adaptively tuned according to a posterior distribution for the trees.

Regression trees are among the most interpretable yet expressive model classes in machine learning. Historically, greedy induction has been the dominant approach for constructing well-performing regression trees. While optimal methods based on dynamic programming and branch-and-bound exist, they are computationally prohibitive for general linear regression trees, despite often achieving substantially better performance than greedy approaches. Recent work has shown that specialized lookahead strategies can dramatically improve runtime while maintaining near-optimal performance, primarily in classification settings. In this work, we develop a novel algorithm for near-optimal, sparse, piecewise linear regression trees that combines a lookahead-style search strategy with efficient rank-one Cholesky updates of the Gram matrix. We demonstrate, both theoretically and empirically, that our method achieves a favorable trade-off between computational efficiency, predictive accuracy, and sparsity, and scales significantly better than the current state of the art.

A technique for improving the prediction accuracy of decision trees is proposed. It consists in evaluating the tree's branches in parallel over multiple paths. The technique enables predictions that are more aligned with the ones generated by the nearest neighborhood variant of the deodata algorithms. The technique also enables the hybridization of the decision tree algorithm with the nearest neighborhood variant.

Decision trees are renowned for their interpretability capability to achieve high predictive performance, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data at every node in a tree. However, identifying the best partition is challenging, as decision trees optimized for local segments may not bring global generalization. To address this, we introduce MetaTree, which trains a transformer-based model on filtered outputs from classical algorithms to produce strong decision trees for classification. Specifically, we fit both greedy decision trees and optimized decision trees on a large number of datasets. We then train MetaTree to produce the trees that achieve strong generalization performance. This training enables MetaTree to not only emulate these algorithms, but also to intelligently adapt its strategy according to the context, thereby achieving superior generalization performance.

Representation learning of pathology whole-slide images (WSIs) has primarily relied on weak supervision with Multiple Instance Learning (MIL). This approach leads to slide representations highly tailored to a specific clinical task. Self-supervised learning (SSL) has been successfully applied to train histopathology foundation models (FMs) for patch embedding generation. However, generating patient or slide level embeddings remains challenging. Existing approaches for slide representation learning extend the principles of SSL from patch level learning to entire slides by aligning different augmentations of the slide or by utilizing multimodal data. By integrating tile embeddings from multiple FMs, we propose a new single modality SSL method in feature space that generates useful slide representations. Our contrastive pretraining strategy, called COBRA, employs multiple FMs and an architecture based on Mamba-2. COBRA exceeds performance of state-of-the-art slide encoders on four different public CPTAC cohorts on average by at least +3.8% AUC, despite only being pretrained on 3048 WSIs from TCGA. Additionally, COBRA is readily compatible at inference time with previously unseen feature extractors.

Discovering evolutionary traits that are heritable across species on the tree of life (also referred to as a phylogenetic tree) is of great interest to biologists to understand how organisms diversify and evolve. However, the measurement of traits is often a subjective and labor-intensive process, making trait discovery a highly label-scarce problem. We present a novel approach for discovering evolutionary traits directly from images without relying on trait labels. Our proposed approach, Phylo-NN, encodes the image of an organism into a sequence of quantized feature vectors -- or codes -- where different segments of the sequence capture evolutionary signals at varying ancestry levels in the phylogeny. We demonstrate the effectiveness of our approach in producing biologically meaningful results in a number of downstream tasks including species image generation and species-to-species image translation, using fish species as a target example.

A creative idea is often born from transforming, combining, and modifying ideas from existing visual examples capturing various concepts. However, one cannot simply copy the concept as a whole, and inspiration is achieved by examining certain aspects of the concept. Hence, it is often necessary to separate a concept into different aspects to provide new perspectives. In this paper, we propose a method to decompose a visual concept, represented as a set of images, into different visual aspects encoded in a hierarchical tree structure. We utilize large vision-language models and their rich latent space for concept decomposition and generation. Each node in the tree represents a sub-concept using a learned vector embedding injected into the latent space of a pretrained text-to-image model. We use a set of regularizations to guide the optimization of the embedding vectors encoded in the nodes to follow the hierarchical structure of the tree. Our method allows to explore and discover new concepts derived from the original one. The tree provides the possibility of endless visual sampling at each node, allowing the user to explore the hidden sub-concepts of the object of interest. The learned aspects in each node can be combined within and across trees to create new visual ideas, and can be used in natural language sentences to apply such aspects to new designs.

This research presents a comprehensive approach to predicting the duration of traffic incidents and classifying them as short-term or long-term across the Sydney Metropolitan Area. Leveraging a dataset that encompasses detailed records of traffic incidents, road network characteristics, and socio-economic indicators, we train and evaluate a variety of advanced machine learning models including Gradient Boosted Decision Trees (GBDT), Random Forest, LightGBM, and XGBoost. The models are assessed using Root Mean Square Error (RMSE) for regression tasks and F1 score for classification tasks. Our experimental results demonstrate that XGBoost and LightGBM outperform conventional models with XGBoost achieving the lowest RMSE of 33.7 for predicting incident duration and highest classification F1 score of 0.62 for a 30-minute duration threshold. For classification, the 30-minute threshold balances performance with 70.84% short-term duration classification accuracy and 62.72% long-term duration classification accuracy. Feature importance analysis, employing both tree split counts and SHAP values, identifies the number of affected lanes, traffic volume, and types of primary and secondary vehicles as the most influential features. The proposed methodology not only achieves high predictive accuracy but also provides stakeholders with vital insights into factors contributing to incident durations. These insights enable more informed decision-making for traffic management and response strategies. The code is available by the link: https://github.com/Future-Mobility-Lab/SydneyIncidents

Semantic role labeling (SRL) is the task of identifying the predicate-argument structure of a sentence. It is typically regarded as an important step in the standard NLP pipeline. As the semantic representations are closely related to syntactic ones, we exploit syntactic information in our model. We propose a version of graph convolutional networks (GCNs), a recent class of neural networks operating on graphs, suited to model syntactic dependency graphs. GCNs over syntactic dependency trees are used as sentence encoders, producing latent feature representations of words in a sentence. We observe that GCN layers are complementary to LSTM ones: when we stack both GCN and LSTM layers, we obtain a substantial improvement over an already state-of-the-art LSTM SRL model, resulting in the best reported scores on the standard benchmark (CoNLL-2009) both for Chinese and English.

This paper presents an empirical comparison of two strategies for Vietnamese Part-of-Speech (POS) tagging from unsegmented text: (i) a pipeline strategy where we consider the output of a word segmenter as the input of a POS tagger, and (ii) a joint strategy where we predict a combined segmentation and POS tag for each syllable. We also make a comparison between state-of-the-art (SOTA) feature-based and neural network-based models. On the benchmark Vietnamese treebank (Nguyen et al., 2009), experimental results show that the pipeline strategy produces better scores of POS tagging from unsegmented text than the joint strategy, and the highest accuracy is obtained by using a feature-based model.

Tabular foundation models (TFMs) increasingly rival tree ensembles, but their performance is often compute-inefficient: with standard affine scalar tokenization, each feature injects value variation through an essentially one-dimensional channel, and feature IDs/positional signals cannot increase within-feature value degrees of freedom, yielding weak early-layer value sensitivity and redundant hidden states. We present a unified tokenize-and-route framework for strong TFMs: RaBEL expands each scalar into compact localized RBF features (optionally exponent-gated) to improve conditioning and shallow-layer effective rank, while a reordered bidirectional block SrightarrowNrightarrowF aligns computation with the readout by aggregating cross-sample context before feature mixing and using attention pooling. Together, these changes yield LimiX-2M, a 2M-parameter model that outperforms larger TabPFN-v2 and TabICL baselines on widely used tabular benchmarks while reducing training and inference costs. These results highlight value-aware tokenization and readout-aligned routing as key levers for improving the accuracy--efficiency trade-off in TFMs. Model checkpoints and inference code are available at https://github.com/limix-ldm-ai/LimiX.

Tabular data, a fundamental data format in machine learning, is predominantly utilized in competitions and real-world applications. The performance of tabular models--such as gradient boosted decision trees and neural networks--can vary significantly across datasets due to differences in feature distributions and task characteristics. Achieving top performance on each dataset often requires specialized expert knowledge. To address this variability, practitioners often aggregate the predictions of multiple models. However, conventional aggregation strategies typically rely on static combination rules and lack instance-level adaptability. In this work, we propose an in-context ensemble framework for tabular prediction that leverages large language models (LLMs) to perform dynamic, instance-specific integration of external model predictions. Without access to raw tabular features or semantic information, our method constructs a context around each test instance using its nearest neighbors and the predictions from a pool of external models. Within this enriched context, we introduce Chain of Tabular Thoughts (CoT^2), a prompting strategy that guides LLMs through multi-step, interpretable reasoning, making still further progress toward expert-level decision-making. Experimental results show that our method outperforms well-tuned baselines and standard ensemble techniques across a wide range of tabular datasets.

Purpose: Hard-to-interpret Black-box Machine Learning (ML) were often used for early Alzheimer's Disease (AD) detection. Methods: To interpret eXtreme Gradient Boosting (XGBoost), Random Forest (RF), and Support Vector Machine (SVM) black-box models a workflow based on Shapley values was developed. All models were trained on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and evaluated for an independent ADNI test set, as well as the external Australian Imaging and Lifestyle flagship study of Ageing (AIBL), and Open Access Series of Imaging Studies (OASIS) datasets. Shapley values were compared to intuitively interpretable Decision Trees (DTs), and Logistic Regression (LR), as well as natural and permutation feature importances. To avoid the reduction of the explanation validity caused by correlated features, forward selection and aspect consolidation were implemented. Results: Some black-box models outperformed DTs and LR. The forward-selected features correspond to brain areas previously associated with AD. Shapley values identified biologically plausible associations with moderate to strong correlations with feature importances. The most important RF features to predict AD conversion were the volume of the amygdalae, and a cognitive test score. Good cognitive test performances and large brain volumes decreased the AD risk. The models trained using cognitive test scores significantly outperformed brain volumetric models (p<0.05). Cognitive Normal (CN) vs. AD models were successfully transferred to external datasets. Conclusion: In comparison to previous work, improved performances for ADNI and AIBL were achieved for CN vs. Mild Cognitive Impairment (MCI) classification using brain volumes. The Shapley values and the feature importances showed moderate to strong correlations.

We propose a novel high-performance and interpretable canonical deep tabular data learning architecture, TabNet. TabNet uses sequential attention to choose which features to reason from at each decision step, enabling interpretability and more efficient learning as the learning capacity is used for the most salient features. We demonstrate that TabNet outperforms other neural network and decision tree variants on a wide range of non-performance-saturated tabular datasets and yields interpretable feature attributions plus insights into the global model behavior. Finally, for the first time to our knowledge, we demonstrate self-supervised learning for tabular data, significantly improving performance with unsupervised representation learning when unlabeled data is abundant.

Neural graphics primitives are faster and achieve higher quality when their neural networks are augmented by spatial data structures that hold trainable features arranged in a grid. However, existing feature grids either come with a large memory footprint (dense or factorized grids, trees, and hash tables) or slow performance (index learning and vector quantization). In this paper, we show that a hash table with learned probes has neither disadvantage, resulting in a favorable combination of size and speed. Inference is faster than unprobed hash tables at equal quality while training is only 1.2-2.6x slower, significantly outperforming prior index learning approaches. We arrive at this formulation by casting all feature grids into a common framework: they each correspond to a lookup function that indexes into a table of feature vectors. In this framework, the lookup functions of existing data structures can be combined by simple arithmetic combinations of their indices, resulting in Pareto optimal compression and speed.

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual enumeration to determine the proper message-passing depth. Inspired by the strong searching capability of neural architecture search (NAS) in CNN, this paper proposes Graph Neural Architecture Search (GNAS) with novel-designed search space. The GNAS can automatically learn better architecture with the optimal depth of message passing on the graph. Specifically, we design Graph Neural Architecture Paradigm (GAP) with tree-topology computation procedure and two types of fine-grained atomic operations (feature filtering and neighbor aggregation) from message-passing mechanism to construct powerful graph network search space. Feature filtering performs adaptive feature selection, and neighbor aggregation captures structural information and calculates neighbors' statistics. Experiments show that our GNAS can search for better GNNs with multiple message-passing mechanisms and optimal message-passing depth. The searched network achieves remarkable improvement over state-of-the-art manual designed and search-based GNNs on five large-scale datasets at three classical graph tasks. Codes can be found at https://github.com/phython96/GNAS-MP.

Pulmonary Hypertension (PH) is a severe disease characterized by an elevated pulmonary artery pressure. The gold standard for PH diagnosis is measurement of mean Pulmonary Artery Pressure (mPAP) during an invasive Right Heart Catheterization. In this paper, we investigate noninvasive approach to PH detection utilizing Magnetic Resonance Imaging, Computer Models and Machine Learning. We show using the ablation study, that physics-informed feature engineering based on models of blood circulation increases the performance of Gradient Boosting Decision Trees-based algorithms for classification of PH and regression of values of mPAP. We compare results of regression (with thresholding of estimated mPAP) and classification and demonstrate that metrics achieved in both experiments are comparable. The predicted mPAP values are more informative to the physicians than the probability of PH returned by classification models. They provide the intuitive explanation of the outcome of the machine learning model (clinicians are accustomed to the mPAP metric, contrary to the PH probability).

Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research. The source code and documentation are available at https://github.com/mmschlk/shapiq.

We present PrediTree, the first comprehensive open-source dataset designed for training and evaluating tree height prediction models at sub-meter resolution. This dataset combines very high-resolution (0.5m) LiDAR-derived canopy height maps, spatially aligned with multi-temporal and multi-spectral imagery, across diverse forest ecosystems in France, totaling 3,141,568 images. PrediTree addresses a critical gap in forest monitoring capabilities by enabling the training of deep learning methods that can predict tree growth based on multiple past observations. %Initially focused on French forests, PrediTree is designed as an expanding resource with ongoing efforts to incorporate data from other countries. To make use of this PrediTree dataset, we propose an encoder-decoder framework that requires the multi-temporal multi-spectral imagery and the relative time differences in years between the canopy height map timestamp (target) and each image acquisition date for which this framework predicts the canopy height. The conducted experiments demonstrate that a U-Net architecture trained on the PrediTree dataset provides the highest masked mean squared error of 11.78%, outperforming the next-best architecture, ResNet-50, by around 12%, and cutting the error of the same experiments but on fewer bands (red, green, blue only), by around 30%. This dataset is publicly available on URL{HuggingFace}, and both processing and training codebases are available on URL{GitHub}.

While the availability of large and diverse datasets has contributed to significant breakthroughs in autonomous driving and indoor applications, forestry applications are still lagging behind and new forest datasets would most certainly contribute to achieving significant progress in the development of data-driven methods for forest-like scenarios. This paper introduces a forest dataset called FinnWoodlands, which consists of RGB stereo images, point clouds, and sparse depth maps, as well as ground truth manual annotations for semantic, instance, and panoptic segmentation. FinnWoodlands comprises a total of 4226 objects manually annotated, out of which 2562 objects (60.6\%) correspond to tree trunks classified into three different instance categories, namely "Spruce Tree", "Birch Tree", and "Pine Tree". Besides tree trunks, we also annotated "Obstacles" objects as instances as well as the semantic stuff classes "Lake", "Ground", and "Track". Our dataset can be used in forestry applications where a holistic representation of the environment is relevant. We provide an initial benchmark using three models for instance segmentation, panoptic segmentation, and depth completion, and illustrate the challenges that such unstructured scenarios introduce.

Large language models (LLMs) exhibit remarkable reasoning capabilities across diverse downstream tasks. However, their autoregressive nature leads to substantial inference latency, posing challenges for real-time applications. Speculative sampling mitigates this issue by introducing a drafting phase followed by a parallel validation phase, enabling faster token generation and verification. Existing approaches, however, overlook the inherent coherence in text generation, limiting their efficiency. To address this gap, we propose a Speculative Sampling with Syntactic and Semantic Coherence (S^4C) framework, which extends speculative sampling by leveraging multi-head drafting for rapid token generation and a continuous verification tree for efficient candidate validation and feature reuse. Experimental results demonstrate that S^4C surpasses baseline methods across mainstream tasks, offering enhanced efficiency, parallelism, and the ability to generate more valid tokens with fewer computational resources. On Spec-bench benchmarks, S^4C achieves an acceleration ratio of 2.26x-2.60x, outperforming state-of-the-art methods.

Predictive modeling on web-scale tabular data with billions of instances and hundreds of heterogeneous numerical features faces significant scalability challenges. These features exhibit anisotropy, heavy-tailed distributions, and non-stationarity, creating bottlenecks for models like Gradient Boosting Decision Trees and requiring laborious manual feature engineering. We introduce KMLP, a hybrid deep architecture integrating a shallow Kolmogorov-Arnold Network (KAN) front-end with a Gated Multilayer Perceptron (gMLP) backbone. The KAN front-end uses learnable activation functions to automatically model complex non-linear transformations for each feature, while the gMLP backbone captures high-order interactions. Experiments on public benchmarks and an industrial dataset with billions of samples show KMLP achieves state-of-the-art performance, with advantages over baselines like GBDTs increasing at larger scales, validating KMLP as a scalable deep learning paradigm for large-scale web tabular data.

Detailed forest inventories are critical for sustainable and flexible management of forest resources, to conserve various ecosystem services. Modern airborne laser scanners deliver high-density point clouds with great potential for fine-scale forest inventory and analysis, but automatically partitioning those point clouds into meaningful entities like individual trees or tree components remains a challenge. The present study aims to fill this gap and introduces a deep learning framework, termed ForAINet, that is able to perform such a segmentation across diverse forest types and geographic regions. From the segmented data, we then derive relevant biophysical parameters of individual trees as well as stands. The system has been tested on FOR-Instance, a dataset of point clouds that have been acquired in five different countries using surveying drones. The segmentation back-end achieves over 85% F-score for individual trees, respectively over 73% mean IoU across five semantic categories: ground, low vegetation, stems, live branches and dead branches. Building on the segmentation results our pipeline then densely calculates biophysical features of each individual tree (height, crown diameter, crown volume, DBH, and location) and properties per stand (digital terrain model and stand density). Especially crown-related features are in most cases retrieved with high accuracy, whereas the estimates for DBH and location are less reliable, due to the airborne scanning setup.

The FOR-instance dataset (available at https://doi.org/10.5281/zenodo.8287792) addresses the challenge of accurate individual tree segmentation from laser scanning data, crucial for understanding forest ecosystems and sustainable management. Despite the growing need for detailed tree data, automating segmentation and tracking scientific progress remains difficult. Existing methodologies often overfit small datasets and lack comparability, limiting their applicability. Amid the progress triggered by the emergence of deep learning methodologies, standardized benchmarking assumes paramount importance in these research domains. This data paper introduces a benchmarking dataset for dense airborne laser scanning data, aimed at advancing instance and semantic segmentation techniques and promoting progress in 3D forest scene segmentation. The FOR-instance dataset comprises five curated and ML-ready UAV-based laser scanning data collections from diverse global locations, representing various forest types. The laser scanning data were manually annotated into individual trees (instances) and different semantic classes (e.g. stem, woody branches, live branches, terrain, low vegetation). The dataset is divided into development and test subsets, enabling method advancement and evaluation, with specific guidelines for utilization. It supports instance and semantic segmentation, offering adaptability to deep learning frameworks and diverse segmentation strategies, while the inclusion of diameter at breast height data expands its utility to the measurement of a classic tree variable. In conclusion, the FOR-instance dataset contributes to filling a gap in the 3D forest research, enhancing the development and benchmarking of segmentation algorithms for dense airborne laser scanning data.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

Polytrees are a subclass of Bayesian networks that seek to capture the conditional dependencies between a set of n variables as a directed forest and are motivated by their more efficient inference and improved interpretability. Since the problem of learning the best polytree is NP-hard, we study which restrictions make it more tractable by considering for example in-degree bounds, properties of score functions measuring the quality of a polytree, and approximation algorithms. We devise an algorithm that finds the optimal polytree in time O((2+ε)^n) for arbitrarily small ε> 0 and any constant in-degree bound k, improving over the fastest previously known algorithm of time complexity O(3^n). We further give polynomial-time algorithms for finding a polytree whose score is within a factor of k from the optimal one for arbitrary scores and a factor of 2 for additive ones. Many of the results are complemented by (nearly) tight lower bounds for either the time complexity or the approximation factors.

Prototype-based methods use interpretable representations to address the black-box nature of deep learning models, in contrast to post-hoc explanation methods that only approximate such models. We propose the Neural Prototype Tree (ProtoTree), an intrinsically interpretable deep learning method for fine-grained image recognition. ProtoTree combines prototype learning with decision trees, and thus results in a globally interpretable model by design. Additionally, ProtoTree can locally explain a single prediction by outlining a decision path through the tree. Each node in our binary tree contains a trainable prototypical part. The presence or absence of this learned prototype in an image determines the routing through a node. Decision making is therefore similar to human reasoning: Does the bird have a red throat? And an elongated beak? Then it's a hummingbird! We tune the accuracy-interpretability trade-off using ensemble methods, pruning and binarizing. We apply pruning without sacrificing accuracy, resulting in a small tree with only 8 learned prototypes along a path to classify a bird from 200 species. An ensemble of 5 ProtoTrees achieves competitive accuracy on the CUB-200- 2011 and Stanford Cars data sets. Code is available at https://github.com/M-Nauta/ProtoTree

Error detection (ED), which aims to identify incorrect or inconsistent cell values in tabular data, is important for ensuring data quality. Recent state-of-the-art ED methods leverage the pre-trained knowledge and semantic capability embedded in large language models (LLMs) to directly label whether a cell is erroneous. However, this LLM-as-a-labeler pipeline (1) relies on the black box, implicit decision process, thus failing to provide explainability for the detection results, and (2) is highly sensitive to prompts, yielding inconsistent outputs due to inherent model stochasticity, therefore lacking robustness. To address these limitations, we propose an LLM-as-an-inducer framework that adopts LLM to induce the decision tree for ED (termed TreeED) and further ensembles multiple such trees for consensus detection (termed ForestED), thereby improving explainability and robustness. Specifically, based on prompts derived from data context, decision tree specifications and output requirements, TreeED queries the LLM to induce the decision tree skeleton, whose root-to-leaf decision paths specify the stepwise procedure for evaluating a given sample. Each tree contains three types of nodes: (1) rule nodes that perform simple validation checks (e.g., format or range), (2) Graph Neural Network (GNN) nodes that capture complex patterns (e.g., functional dependencies), and (3) leaf nodes that output the final decision types (error or clean). Furthermore, ForestED employs uncertainty-based sampling to obtain multiple row subsets, constructing a decision tree for each subset using TreeED. It then leverages an Expectation-Maximization-based algorithm that jointly estimates tree reliability and optimizes the consensus ED prediction. Extensive xperiments demonstrate that our methods are accurate, explainable and robust, achieving an average F1-score improvement of 16.1% over the best baseline.

Large Language Models (LLMs) are accelerating scientific idea generation, but rigorously evaluating these numerous, often superficial, AI-generated propositions for novelty and factual accuracy is a critical bottleneck; manual verification is too slow. Existing validation methods are inadequate: LLMs as standalone verifiers may hallucinate and lack domain knowledge (our findings show 60% unawareness of relevant papers in specific domains), while traditional citation networks lack explicit causality and narrative surveys are unstructured. This underscores a core challenge: the absence of structured, verifiable, and causally-linked historical data of scientific evolution.To address this,we introduce THE-Tree (Technology History Evolution Tree), a computational framework that constructs such domain-specific evolution trees from scientific literature. THE-Tree employs a search algorithm to explore evolutionary paths. During its node expansion, it utilizes a novel "Think-Verbalize-Cite-Verify" process: an LLM proposes potential advancements and cites supporting literature. Critically, each proposed evolutionary link is then validated for logical coherence and evidential support by a recovered natural language inference mechanism that interrogates the cited literature, ensuring that each step is grounded. We construct and validate 88 THE-Trees across diverse domains and release a benchmark dataset including up to 71k fact verifications covering 27k papers to foster further research. Experiments demonstrate that i) in graph completion, our THE-Tree improves hit@1 by 8% to 14% across multiple models compared to traditional citation networks; ii) for predicting future scientific developments, it improves hit@1 metric by nearly 10%; and iii) when combined with other methods, it boosts the performance of evaluating important scientific papers by almost 100%.

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Aspect-based Sentiment Analysis (ABSA) seeks to predict the sentiment polarity of a sentence toward a specific aspect. Recently, it has been shown that dependency trees can be integrated into deep learning models to produce the state-of-the-art performance for ABSA. However, these models tend to compute the hidden/representation vectors without considering the aspect terms and fail to benefit from the overall contextual importance scores of the words that can be obtained from the dependency tree for ABSA. In this work, we propose a novel graph-based deep learning model to overcome these two issues of the prior work on ABSA. In our model, gate vectors are generated from the representation vectors of the aspect terms to customize the hidden vectors of the graph-based models toward the aspect terms. In addition, we propose a mechanism to obtain the importance scores for each word in the sentences based on the dependency trees that are then injected into the model to improve the representation vectors for ABSA. The proposed model achieves the state-of-the-art performance on three benchmark datasets.

The cycle of scientific discovery is frequently bottlenecked by the slow, manual creation of software to support computational experiments. To address this, we present an AI system that creates expert-level scientific software whose goal is to maximize a quality metric. The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions. The system achieves expert-level results when it explores and integrates complex research ideas from external sources. The effectiveness of tree search is demonstrated across a wide range of benchmarks. In bioinformatics, it discovered 40 novel methods for single-cell data analysis that outperformed the top human-developed methods on a public leaderboard. In epidemiology, it generated 14 models that outperformed the CDC ensemble and all other individual models for forecasting COVID-19 hospitalizations. Our method also produced state-of-the-art software for geospatial analysis, neural activity prediction in zebrafish, time series forecasting and numerical solution of integrals. By devising and implementing novel solutions to diverse tasks, the system represents a significant step towards accelerating scientific progress.

In this manuscript, we show that any neural network with any activation function can be represented as a decision tree. The representation is equivalence and not an approximation, thus keeping the accuracy of the neural network exactly as is. We believe that this work provides better understanding of neural networks and paves the way to tackle their black-box nature. We share equivalent trees of some neural networks and show that besides providing interpretability, tree representation can also achieve some computational advantages for small networks. The analysis holds both for fully connected and convolutional networks, which may or may not also include skip connections and/or normalizations.

Accurate estimation of forest biomass, a major carbon sink, relies heavily on tree-level traits such as height and species. Unoccupied Aerial Vehicles (UAVs) capturing high-resolution imagery from a single RGB camera offer a cost-effective and scalable approach for mapping and measuring individual trees. We introduce BIRCH-Trees, the first benchmark for individual tree height and species estimation from tree-centered UAV images, spanning three datasets: temperate forests, tropical forests, and boreal plantations. We also present DINOvTree, a unified approach using a Vision Foundation Model (VFM) backbone with task-specific heads for simultaneous height and species prediction. Through extensive evaluations on BIRCH-Trees, we compare DINOvTree against commonly used vision methods, including VFMs, as well as biological allometric equations. We find that DINOvTree achieves top overall results with accurate height predictions and competitive classification accuracy while using only 54% to 58% of the parameters of the second-best approach.

We present a novel method for hierarchical topic detection where topics are obtained by clustering documents in multiple ways. Specifically, we model document collections using a class of graphical models called hierarchical latent tree models (HLTMs). The variables at the bottom level of an HLTM are observed binary variables that represent the presence/absence of words in a document. The variables at other levels are binary latent variables, with those at the lowest latent level representing word co-occurrence patterns and those at higher levels representing co-occurrence of patterns at the level below. Each latent variable gives a soft partition of the documents, and document clusters in the partitions are interpreted as topics. Latent variables at high levels of the hierarchy capture long-range word co-occurrence patterns and hence give thematically more general topics, while those at low levels of the hierarchy capture short-range word co-occurrence patterns and give thematically more specific topics. Unlike LDA-based topic models, HLTMs do not refer to a document generation process and use word variables instead of token variables. They use a tree structure to model the relationships between topics and words, which is conducive to the discovery of meaningful topics and topic hierarchies.

We propose a transformer architecture and training strategy for tree generation. The architecture processes data at multiple resolutions and has an hourglass shape, with middle layers processing fewer tokens than outer layers. Similar to convolutional networks, we introduce longer range skip connections to completent this multi-resolution approach. The key advantage of this architecture is the faster processing speed and lower memory consumption. We are therefore able to process more complex trees than would be possible with a vanilla transformer architecture. Furthermore, we extend this approach to perform image-to-tree and point-cloud-to-tree conditional generation and to simulate the tree growth processes, generating 4D trees. Empirical results validate our approach in terms of speed, memory consumption, and generation quality.

This research advances individual tree crown (ITC) segmentation in lidar data, using a deep learning model applicable to various laser scanning types: airborne (ULS), terrestrial (TLS), and mobile (MLS). It addresses the challenge of transferability across different data characteristics in 3D forest scene analysis. The study evaluates the model's performance based on platform (ULS, MLS) and data density, testing five scenarios with varying input data, including sparse versions, to gauge adaptability and canopy layer efficacy. The model, based on PointGroup architecture, is a 3D CNN with separate heads for semantic and instance segmentation, validated on diverse point cloud datasets. Results show point cloud sparsification enhances performance, aiding sparse data handling and improving detection in dense forests. The model performs well with >50 points per sq. m densities but less so at 10 points per sq. m due to higher omission rates. It outperforms existing methods (e.g., Point2Tree, TLS2trees) in detection, omission, commission rates, and F1 score, setting new benchmarks on LAUTx, Wytham Woods, and TreeLearn datasets. In conclusion, this study shows the feasibility of a sensor-agnostic model for diverse lidar data, surpassing sensor-specific approaches and setting new standards in tree segmentation, particularly in complex forests. This contributes to future ecological modeling and forest management advancements.

We present TreeON, a novel neural-based framework for reconstructing detailed 3D tree point clouds from sparse top-down geodata, using only a single orthophoto and its corresponding Digital Surface Model (DSM). Our method introduces a new training supervision strategy that combines both geometric supervision and differentiable shadow and silhouette losses to learn point cloud representations of trees without requiring species labels, procedural rules, terrestrial reconstruction data, or ground laser scans. To address the lack of ground truth data, we generate a synthetic dataset of point clouds from procedurally modeled trees and train our network on it. Quantitative and qualitative experiments demonstrate better reconstruction quality and coverage compared to existing methods, as well as strong generalization to real-world data, producing visually appealing and structurally plausible tree point cloud representations suitable for integration into interactive digital 3D maps. The codebase, synthetic dataset, and pretrained model are publicly available at https://angelikigram.github.io/treeON/.

Semi-structured documents integrate diverse interleaved data elements (e.g., tables, charts, hierarchical paragraphs) arranged in various and often irregular layouts. These documents are widely observed across domains and account for a large portion of real-world data. However, existing methods struggle to support natural language question answering over these documents due to three main technical challenges: (1) The elements extracted by techniques like OCR are often fragmented and stripped of their original semantic context, making them inadequate for analysis. (2) Existing approaches lack effective representations to capture hierarchical structures within documents (e.g., associating tables with nested chapter titles) and to preserve layout-specific distinctions (e.g., differentiating sidebars from main content). (3) Answering questions often requires retrieving and aligning relevant information scattered across multiple regions or pages, such as linking a descriptive paragraph to table cells located elsewhere in the document. To address these issues, we propose MoDora, an LLM-powered system for semi-structured document analysis. First, we adopt a local-alignment aggregation strategy to convert OCR-parsed elements into layout-aware components, and conduct type-specific information extraction for components with hierarchical titles or non-text elements. Second, we design the Component-Correlation Tree (CCTree) to hierarchically organize components, explicitly modeling inter-component relations and layout distinctions through a bottom-up cascade summarization process. Finally, we propose a question-type-aware retrieval strategy that supports (1) layout-based grid partitioning for location-based retrieval and (2) LLM-guided pruning for semantic-based retrieval. Experiments show MoDora outperforms baselines by 5.97%-61.07% in accuracy. The code is at https://github.com/weAIDB/MoDora.

Open World Object Detection (OWOD) is a challenging and realistic task that extends beyond the scope of standard Object Detection task. It involves detecting both known and unknown objects while integrating learned knowledge for future tasks. However, the level of "unknownness" varies significantly depending on the context. For example, a tree is typically considered part of the background in a self-driving scene, but it may be significant in a household context. We argue that this contextual information should already be embedded within the known classes. In other words, there should be a semantic or latent structure relationship between the known and unknown items to be discovered. Motivated by this observation, we propose Hyp-OW, a method that learns and models hierarchical representation of known items through a SuperClass Regularizer. Leveraging this representation allows us to effectively detect unknown objects using a similarity distance-based relabeling module. Extensive experiments on benchmark datasets demonstrate the effectiveness of Hyp-OW, achieving improvement in both known and unknown detection (up to 6 percent). These findings are particularly pronounced in our newly designed benchmark, where a strong hierarchical structure exists between known and unknown objects. Our code can be found at https://github.com/tldoan/-HYP-OW-AAAI-2024-

Accurately quantifying tree cover is an important metric for ecosystem monitoring and for assessing progress in restored sites. Recent works have shown that deep learning-based segmentation algorithms are capable of accurately mapping trees at country and continental scales using high-resolution aerial and satellite imagery. Mapping at high (ideally sub-meter) resolution is necessary to identify individual trees, however there are few open-access datasets containing instance level annotations and those that exist are small or not geographically diverse. We present a novel open-access dataset for individual tree crown delineation (TCD) in high-resolution aerial imagery sourced from OpenAerialMap (OAM). Our dataset, OAM-TCD, comprises 5072 2048x2048 px images at 10 cm/px resolution with associated human-labeled instance masks for over 280k individual and 56k groups of trees. By sampling imagery from around the world, we are able to better capture the diversity and morphology of trees in different terrestrial biomes and in both urban and natural environments. Using our dataset, we train reference instance and semantic segmentation models that compare favorably to existing state-of-the-art models. We assess performance through k-fold cross-validation and comparison with existing datasets; additionally we demonstrate compelling results on independent aerial imagery captured over Switzerland and compare to municipal tree inventories and LIDAR-derived canopy maps in the city of Zurich. Our dataset, models and training/benchmark code are publicly released under permissive open-source licenses: Creative Commons (majority CC BY 4.0), and Apache 2.0 respectively.

Motivation The genotype assignment problem consists of predicting, from the genotype of an individual, which of a known set of populations it originated from. The problem arises in a variety of contexts, including wildlife forensics, invasive species detection and biodiversity monitoring. Existing approaches perform well under ideal conditions but are sensitive to a variety of common violations of the assumptions they rely on. Results In this article, we introduce Mycorrhiza, a machine learning approach for the genotype assignment problem. Our algorithm makes use of phylogenetic networks to engineer features that encode the evolutionary relationships among samples. Those features are then used as input to a Random Forests classifier. The classification accuracy was assessed on multiple published empirical SNP, microsatellite or consensus sequence datasets with wide ranges of size, geographical distribution and population structure and on simulated datasets. It compared favorably against widely used assessment tests or mixture analysis methods such as STRUCTURE and Admixture, and against another machine-learning based approach using principal component analysis for dimensionality reduction. Mycorrhiza yields particularly significant gains on datasets with a large average fixation index (FST) or deviation from the Hardy-Weinberg equilibrium. Moreover, the phylogenetic network approach estimates mixture proportions with good accuracy.

We propose a filtering feature selection framework that considers subsets of features as paths in a graph, where a node is a feature and an edge indicates pairwise (customizable) relations among features, dealing with relevance and redundancy principles. By two different interpretations (exploiting properties of power series of matrices and relying on Markov chains fundamentals) we can evaluate the values of paths (i.e., feature subsets) of arbitrary lengths, eventually go to infinite, from which we dub our framework Infinite Feature Selection (Inf-FS). Going to infinite allows to constrain the computational complexity of the selection process, and to rank the features in an elegant way, that is, considering the value of any path (subset) containing a particular feature. We also propose a simple unsupervised strategy to cut the ranking, so providing the subset of features to keep. In the experiments, we analyze diverse settings with heterogeneous features, for a total of 11 benchmarks, comparing against 18 widely-known comparative approaches. The results show that Inf-FS behaves better in almost any situation, that is, when the number of features to keep are fixed a priori, or when the decision of the subset cardinality is part of the process.

We introduce a novel machine learning model for credit risk by combining tree-boosting with a latent spatio-temporal Gaussian process model accounting for frailty correlation. This allows for modeling non-linearities and interactions among predictor variables in a flexible data-driven manner and for accounting for spatio-temporal variation that is not explained by observable predictor variables. We also show how estimation and prediction can be done in a computationally efficient manner. In an application to a large U.S. mortgage credit risk data set, we find that both predictive default probabilities for individual loans and predictive loan portfolio loss distributions obtained with our novel approach are more accurate compared to conventional independent linear hazard models and also linear spatio-temporal models. Using interpretability tools for machine learning models, we find that the likely reasons for this outperformance are strong interaction and non-linear effects in the predictor variables and the presence of large spatio-temporal frailty effects.

Treemaps are a popular technique to visualize hierarchical data. The input is a weighted tree tree where the weight of each node is the sum of the weights of its children. A treemap for tree is a hierarchical partition of a rectangle into simply connected regions, usually rectangles. Each region represents a node of tree and its area is proportional to the weight of the corresponding node. An important quality criterion for treemaps is the aspect ratio of its regions. One cannot bound the aspect ratio if the regions are restricted to be rectangles. In contrast, polygonal partitions, that use convex polygons, have bounded aspect ratio. We are the first to obtain convex partitions with optimal aspect ratio O(depth(tree)). However, depth(tree) still depends on the input tree. Hence we introduce a new type of treemaps, namely orthoconvex treemaps, where regions representing leaves are rectangles, L-, and S-shapes, and regions representing internal nodes are orthoconvex polygons. We prove that any input tree, irrespective of the weights of the nodes and the depth of the tree, admits an orthoconvex treemap of constant aspect ratio. We also obtain several specialized results for single-level treemaps, that is, treemaps where the input tree has depth~1.

We present the design and implementation of a custom discrete optimization technique for building rule lists over a categorical feature space. Our algorithm produces rule lists with optimal training performance, according to the regularized empirical risk, with a certificate of optimality. By leveraging algorithmic bounds, efficient data structures, and computational reuse, we achieve several orders of magnitude speedup in time and a massive reduction of memory consumption. We demonstrate that our approach produces optimal rule lists on practical problems in seconds. Our results indicate that it is possible to construct optimal sparse rule lists that are approximately as accurate as the COMPAS proprietary risk prediction tool on data from Broward County, Florida, but that are completely interpretable. This framework is a novel alternative to CART and other decision tree methods for interpretable modeling.

Model customization necessitates high-quality and diverse datasets, but acquiring such data remains time-consuming and labor-intensive. Despite the great potential of large language models (LLMs) for data synthesis, current approaches are constrained by limited seed data, model biases, and low-variation prompts, resulting in limited diversity and biased distributions with the increase of data scales. To tackle this challenge, we introduce TREESYNTH, a tree-guided subspace-based data synthesis approach inspired by decision trees. It constructs a spatial partitioning tree to recursively divide a task-specific full data space (i.e., root node) into numerous atomic subspaces (i.e., leaf nodes) with mutually exclusive and exhaustive attributes to ensure both distinctiveness and comprehensiveness before synthesizing samples within each atomic subspace. This globally dividing-and-synthesizing method finally collects subspace samples into a comprehensive dataset, effectively circumventing repetition and space collapse to ensure the diversity of large-scale data synthesis. Furthermore, the spatial partitioning tree enables sample allocation into atomic subspaces, allowing the rebalancing of existing datasets for more balanced and comprehensive distributions. Empirically, extensive experiments across diverse benchmarks consistently demonstrate the superior data diversity, model performance, and robust scalability of TREESYNTH compared to both human-crafted datasets and peer data synthesis methods, with an average performance gain reaching 10%. Besides, the consistent improvements of TREESYNTH-balanced datasets highlight its efficacious application to redistribute existing datasets for more comprehensive coverage and the induced performance enhancement. The code is available at https://github.com/cpa2001/TreeSynth.

Prompting language models (LMs) is the main interface for applying them to new tasks. However, for smaller LMs, prompting provides low accuracy compared to gradient-based finetuning. Tree Prompting is an approach to prompting which builds a decision tree of prompts, linking multiple LM calls together to solve a task. At inference time, each call to the LM is determined by efficiently routing the outcome of the previous call using the tree. Experiments on classification datasets show that Tree Prompting improves accuracy over competing methods and is competitive with fine-tuning. We also show that variants of Tree Prompting allow inspection of a model's decision-making process.

Knowledge of tree species distribution is fundamental to managing forests. New deep learning approaches promise significant accuracy gains for forest mapping, and are becoming a critical tool for mapping multiple tree species at scale. To advance the field, deep learning researchers need large benchmark datasets with high-quality annotations. To this end, we present the PureForest dataset: a large-scale, open, multimodal dataset designed for tree species classification from both Aerial Lidar Scanning (ALS) point clouds and Very High Resolution (VHR) aerial images. Most current public Lidar datasets for tree species classification have low diversity as they only span a small area of a few dozen annotated hectares at most. In contrast, PureForest has 18 tree species grouped into 13 semantic classes, and spans 339 km^2 across 449 distinct monospecific forests, and is to date the largest and most comprehensive Lidar dataset for the identification of tree species. By making PureForest publicly available, we hope to provide a challenging benchmark dataset to support the development of deep learning approaches for tree species identification from Lidar and/or aerial imagery. In this data paper, we describe the annotation workflow, the dataset, the recommended evaluation methodology, and establish a baseline performance from both 3D and 2D modalities.

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face limitations such as suboptimal solutions from greedy methods or prohibitive computational costs and limited applicability of exact optimization approaches. To address these challenges, we propose an evolutionary optimization method for decision tree induction based on genetic programming (GP). Our key innovation is the integration of semantic priors and domain-specific knowledge about the search space into the optimization algorithm. To this end, we introduce LLEGO, a framework that incorporates semantic priors into genetic search operators through the use of Large Language Models (LLMs), thereby enhancing search efficiency and targeting regions of the search space that yield decision trees with superior generalization performance. This is operationalized through novel genetic operators that work with structured natural language prompts, effectively utilizing LLMs as conditional generative models and sources of semantic knowledge. Specifically, we introduce fitness-guided crossover to exploit high-performing regions, and diversity-guided mutation for efficient global exploration of the search space. These operators are controlled by corresponding hyperparameters that enable a more nuanced balance between exploration and exploitation across the search space. Empirically, we demonstrate across various benchmarks that LLEGO evolves superior-performing trees compared to existing tree induction methods, and exhibits significantly more efficient search performance compared to conventional GP approaches.

The standard basis of transformer hidden states is a training-free, architecture-general feature basis for detecting concepts and, in language models, steering them; with no learned dictionary. Individual dimensions act as binary registers read one at a time: their signs (+/-1) encode content, their magnitudes strength. A feature is just a subset of dimensions with a consistent sign pattern, read by counting sign agreements. We validate this Bag of Dims (BoD) framework across seven models spanning language, vision, and audio; reading dimensions one at a time loses nothing, as a full-capacity MLP adds zero AUC over per-dim reading. The same per-dimension signs appear in every modality, so they reflect transformer training itself, not the language objective. Sign alone carries predictive content: setting all magnitudes to unity preserves 60-93% top-5 next-token accuracy through the LM head. From a single-token cache (one forward pass per token, no labels) we detect 175 categories at AUC 0.97-0.99 by counting sign agreements, and from random seeds alone discovery scales to 1500 features per model. A trained probe adds only +0.018 AUC and converges to axis-aligned weights: the rotation dictionaries learn buys little. Signs are causally operative: they survive the attention projections, and flipping a concept's sign pattern in the live forward pass suppresses it. Reading and steering are separate roles in the same basis: a concept's reader dimensions are not its writer dimensions. The writer target is just as cheap, the sign of the summed unembedding rows over a few seeds, no training. Injected through the attention output pathway under closed-loop control, it steers concepts into fluent text on four language models (62-92% of twelve concepts). The signs were in the standard basis all along; the open problem is no longer finding the right rotation but cataloging what each dimension encodes.

Accurate forecasts for day-ahead photovoltaic (PV) power generation are crucial to support a high PV penetration rate in the local electricity grid and to assure stability in the grid. We use state-of-the-art tree-based machine learning methods to produce such forecasts and, unlike previous studies, we hereby account for (i) the effects various meteorological as well as astronomical features have on PV power production, and this (ii) at coarse as well as granular spatial locations. To this end, we use data from Belgium and forecast day-ahead PV power production at an hourly resolution. The insights from our study can assist utilities, decision-makers, and other stakeholders in optimizing grid operations, economic dispatch, and in facilitating the integration of distributed PV power into the electricity grid.

Determining the location of an image anywhere on Earth is a complex visual task, which makes it particularly relevant for evaluating computer vision algorithms. Yet, the absence of standard, large-scale, open-access datasets with reliably localizable images has limited its potential. To address this issue, we introduce OpenStreetView-5M, a large-scale, open-access dataset comprising over 5.1 million geo-referenced street view images, covering 225 countries and territories. In contrast to existing benchmarks, we enforce a strict train/test separation, allowing us to evaluate the relevance of learned geographical features beyond mere memorization. To demonstrate the utility of our dataset, we conduct an extensive benchmark of various state-of-the-art image encoders, spatial representations, and training strategies. All associated codes and models can be found at https://github.com/gastruc/osv5m.

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

A heuristic extending the Squarified Treemap technique for the representation of hierarchical information as treemaps is presented. The original technique gives high quality treemap views, since items are laid out with rectangles that approximate squares, allowing easy comparison and selection operations. New key steps, with a low computational impact, have been introduced to yield treemaps with even better aspect ratios and higher homogeneity among items.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

This paper addresses unsupervised representation learning on tabular data containing multiple views generated by distinct sources of measurement. Traditional methods, which tackle this problem using the multi-view framework, are constrained by predefined assumptions that assume feature sets share the same information and representations should learn globally shared factors. However, this assumption is not always valid for real-world tabular datasets with complex dependencies between feature sets, resulting in localized information that is harder to learn. To overcome this limitation, we propose a data-driven approach that learns feature set dependencies by representing feature sets as graph nodes and their relationships as learnable edges. Furthermore, we introduce LEGATO, a novel hierarchical graph autoencoder that learns a smaller, latent graph to aggregate information from multiple views dynamically. This approach results in latent graph components that specialize in capturing localized information from different regions of the input, leading to superior downstream performance.

Climate change is expected to intensify and increase extreme events in the weather cycle. Since this has a significant impact on various sectors of our life, recent works are concerned with identifying and predicting such extreme events from Earth observations. With respect to wildfire danger forecasting, previous deep learning approaches duplicate static variables along the time dimension and neglect the intrinsic differences between static and dynamic variables. Furthermore, most existing multi-branch architectures lose the interconnections between the branches during the feature learning stage. To address these issues, this paper proposes a 2D/3D two-branch convolutional neural network (CNN) with a Location-aware Adaptive Normalization layer (LOAN). Using LOAN as a building block, we can modulate the dynamic features conditional on their geographical locations. Thus, our approach considers feature properties as a unified yet compound 2D/3D model. Besides, we propose using the sinusoidal-based encoding of the day of the year to provide the model with explicit temporal information about the target day within the year. Our experimental results show a better performance of our approach than other baselines on the challenging FireCube dataset. The results show that location-aware adaptive feature normalization is a promising technique to learn the relation between dynamic variables and their geographic locations, which is highly relevant for areas where remote sensing data builds the basis for analysis. The source code is available at https://github.com/HakamShams/LOAN.

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks.

Timber represents an increasingly valuable and versatile resource. However, forestry operations such as harvesting, handling and measuring logs still require substantial human labor in remote environments posing significant safety risks. Progressively automating these tasks has the potential of increasing their efficiency as well as safety, but requires an accurate detection of individual logs as well as live trees and their context. Although initial approaches have been proposed for this challenging application domain, specialized data and algorithms are still too scarce to develop robust solutions. To mitigate this gap, we introduce the TimberVision dataset, consisting of more than 2k annotated RGB images containing a total of 51k trunk components including cut and lateral surfaces, thereby surpassing any existing dataset in this domain in terms of both quantity and detail by a large margin. Based on this data, we conduct a series of ablation experiments for oriented object detection and instance segmentation and evaluate the influence of multiple scene parameters on model performance. We introduce a generic framework to fuse the components detected by our models for both tasks into unified trunk representations. Furthermore, we automatically derive geometric properties and apply multi-object tracking to further enhance robustness. Our detection and tracking approach provides highly descriptive and accurate trunk representations solely from RGB image data, even under challenging environmental conditions. Our solution is suitable for a wide range of application scenarios and can be readily combined with other sensor modalities.

The chain-structured long short-term memory (LSTM) has showed to be effective in a wide range of problems such as speech recognition and machine translation. In this paper, we propose to extend it to tree structures, in which a memory cell can reflect the history memories of multiple child cells or multiple descendant cells in a recursive process. We call the model S-LSTM, which provides a principled way of considering long-distance interaction over hierarchies, e.g., language or image parse structures. We leverage the models for semantic composition to understand the meaning of text, a fundamental problem in natural language understanding, and show that it outperforms a state-of-the-art recursive model by replacing its composition layers with the S-LSTM memory blocks. We also show that utilizing the given structures is helpful in achieving a performance better than that without considering the structures.

Given thousands of equally accurate machine learning (ML) models, how can users choose among them? A recent ML technique enables domain experts and data scientists to generate a complete Rashomon set for sparse decision trees--a huge set of almost-optimal interpretable ML models. To help ML practitioners identify models with desirable properties from this Rashomon set, we develop TimberTrek, the first interactive visualization system that summarizes thousands of sparse decision trees at scale. Two usage scenarios highlight how TimberTrek can empower users to easily explore, compare, and curate models that align with their domain knowledge and values. Our open-source tool runs directly in users' computational notebooks and web browsers, lowering the barrier to creating more responsible ML models. TimberTrek is available at the following public demo link: https://poloclub.github.io/timbertrek.

Large language models (LLMs) are increasingly used for software evolution, yet most interaction paradigms remain code-centric and require manual context management and prompt iteration. We present FeatX, a feature-oriented tool for editing software by editing features. Given an existing repository, FeatX extracts a hierarchical epic-feature structure with explicit feature-to-code mappings, then invokes a three-stage Evolution Agent to translate feature edits into code patches. The workflow is exposed through four coordinated panels. Across a controlled user study and replay experiments on 38 real-world feature-editing commits, FeatX significantly reduces cognitive load and improves usability compared with vanilla ChatGPT. It also achieves a 42.6\% relative improvement in function-level modification localization F1 over strong LLM baselines, at substantially lower cost (\$0.07 in total). The tool and collected dataset are available at https://github.com/a496263365/FeatX/tree/demo, with a demonstration video at https://youtu.be/OZqKZ4Ii-yM.

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

Plant traits such as leaf carbon content and leaf mass are essential variables in the study of biodiversity and climate change. However, conventional field sampling cannot feasibly cover trait variation at ecologically meaningful spatial scales. Machine learning represents a valuable solution for plant trait prediction across ecosystems, leveraging hyperspectral data from remote sensing. Nevertheless, trait prediction from hyperspectral data is challenged by label scarcity and substantial domain shifts (\eg across sensors, ecological distributions), requiring robust cross-domain methods. Here, we present GreenHyperSpectra, a pretraining dataset encompassing real-world cross-sensor and cross-ecosystem samples designed to benchmark trait prediction with semi- and self-supervised methods. We adopt an evaluation framework encompassing in-distribution and out-of-distribution scenarios. We successfully leverage GreenHyperSpectra to pretrain label-efficient multi-output regression models that outperform the state-of-the-art supervised baseline. Our empirical analyses demonstrate substantial improvements in learning spectral representations for trait prediction, establishing a comprehensive methodological framework to catalyze research at the intersection of representation learning and plant functional traits assessment. All code and data are available at: https://github.com/echerif18/HyspectraSSL.

Interpretability is becoming an active research topic as machine learning (ML) models are more widely used to make critical decisions. Tabular data is one of the most commonly used modes of data in diverse applications such as healthcare and finance. Much of the existing interpretability methods used for tabular data only report feature-importance scores -- either locally (per example) or globally (per model) -- but they do not provide interpretation or visualization of how the features interact. We address this limitation by introducing Feature Vectors, a new global interpretability method designed for tabular datasets. In addition to providing feature-importance, Feature Vectors discovers the inherent semantic relationship among features via an intuitive feature visualization technique. Our systematic experiments demonstrate the empirical utility of this new method by applying it to several real-world datasets. We further provide an easy-to-use Python package for Feature Vectors.

Categorical variables often appear in datasets for classification and regression tasks, and they need to be encoded into numerical values before training. Since many encoders have been developed and can significantly impact performance, choosing the appropriate encoder for a task becomes a time-consuming yet important practical issue. This study broadly classifies machine learning models into three categories: 1) ATI models that implicitly perform affine transformations on inputs, such as multi-layer perceptron neural network; 2) Tree-based models that are based on decision trees, such as random forest; and 3) the rest, such as kNN. Theoretically, we prove that the one-hot encoder is the best choice for ATI models in the sense that it can mimic any other encoders by learning suitable weights from the data. We also explain why the target encoder and its variants are the most suitable encoders for tree-based models. This study conducted comprehensive computational experiments to evaluate 14 encoders, including one-hot and target encoders, along with eight common machine-learning models on 28 datasets. The computational results agree with our theoretical analysis. The findings in this study shed light on how to select the suitable encoder for data scientists in fields such as fraud detection, disease diagnosis, etc.

In single-cell research, tracing and analyzing high-throughput single-cell differentiation trajectories is crucial for understanding biological processes. Key to this is the robust modeling of hierarchical structures that govern cellular development. Traditional methods face limitations in computational cost, performance, and stability. VAE-based approaches have made strides but still require branch-specific network modules, limiting their scalability and stability, while often suffering from posterior collapse. To overcome these challenges, we introduce HDTree, a generative modeling framework designed for robust lineage inference. HDTree captures tree relationships within a hierarchical latent space using a unified hierarchical codebook and employs a quantized diffusion process to model continuous cell state transitions. By aligning the generative process with the Waddington landscape, this method not only improves stability and scalability but also enhances the biological plausibility of inferred lineages. HDTree's effectiveness is demonstrated through comparisons on both general-purpose and single-cell datasets, where it outperforms existing methods in lineage inference accuracy, reconstruction quality, and hierarchical consistency. These contributions enable accurate and efficient modeling of cellular differentiation paths, offering reliable insights for biological discovery.\footnote{Code is available at https://github.com/zangzelin/code\_HDTree\_icml.

Identification of tree species plays a key role in forestry related tasks like forest conservation, disease diagnosis and plant production. There had been a debate regarding the part of the tree to be used for differentiation, whether it should be leaves, fruits, flowers or bark. Studies have proven that bark is of utmost importance as it will be present despite seasonal variations and provides a characteristic identity to a tree by variations in the structure. In this paper, a deep learning based approach is presented by leveraging the method of computer vision to classify 50 tree species, on the basis of bark texture using the BarkVN-50 dataset. This is the maximum number of trees being considered for bark classification till now. A convolutional neural network(CNN), ResNet101 has been implemented using transfer-learning based technique of fine tuning to maximise the model performance. The model produced an overall accuracy of >94% during the evaluation. The performance validation has been done using K-Fold Cross Validation and by testing on unseen data collected from the Internet, this proved the model's generalization capability for real-world uses.

We present a novel prior for tree topology within Bayesian Additive Regression Trees (BART) models. This approach quantifies the hypothetical loss in information and the loss due to complexity associated with choosing the wrong tree structure. The resulting prior distribution is compellingly geared toward sparsity, a critical feature considering BART models' tendency to overfit. Our method incorporates prior knowledge into the distribution via two parameters that govern the tree's depth and balance between its left and right branches. Additionally, we propose a default calibration for these parameters, offering an objective version of the prior. We demonstrate our method's efficacy on both simulated and real datasets.

Images of the natural world, collected by a variety of cameras, from drones to individual phones, are increasingly abundant sources of biological information. There is an explosion of computational methods and tools, particularly computer vision, for extracting biologically relevant information from images for science and conservation. Yet most of these are bespoke approaches designed for a specific task and are not easily adaptable or extendable to new questions, contexts, and datasets. A vision model for general organismal biology questions on images is of timely need. To approach this, we curate and release TreeOfLife-10M, the largest and most diverse ML-ready dataset of biology images. We then develop BioCLIP, a foundation model for the tree of life, leveraging the unique properties of biology captured by TreeOfLife-10M, namely the abundance and variety of images of plants, animals, and fungi, together with the availability of rich structured biological knowledge. We rigorously benchmark our approach on diverse fine-grained biology classification tasks, and find that BioCLIP consistently and substantially outperforms existing baselines (by 17% to 20% absolute). Intrinsic evaluation reveals that BioCLIP has learned a hierarchical representation conforming to the tree of life, shedding light on its strong generalizability. Our code, models and data will be made available at https://github.com/Imageomics/bioclip.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

More and more processes governing our lives use in some part an automatic decision step, where -- based on a feature vector derived from an applicant -- an algorithm has the decision power over the final outcome. Here we present a simple idea which gives some of the power back to the applicant by providing her with alternatives which would make the decision algorithm decide differently. It is based on a formalization reminiscent of methods used for evasion attacks, and consists in enumerating the subspaces where the classifiers decides the desired output. This has been implemented for the specific case of decision forests (ensemble methods based on decision trees), mapping the problem to an iterative version of enumerating k-cliques.

Yggdrasil Decision Forests is a library for the training, serving and interpretation of decision forest models, targeted both at research and production work, implemented in C++, and available in C++, command line interface, Python (under the name TensorFlow Decision Forests), JavaScript, Go, and Google Sheets (under the name Simple ML for Sheets). The library has been developed organically since 2018 following a set of four design principles applicable to machine learning libraries and frameworks: simplicity of use, safety of use, modularity and high-level abstraction, and integration with other machine learning libraries. In this paper, we describe those principles in detail and present how they have been used to guide the design of the library. We then showcase the use of our library on a set of classical machine learning problems. Finally, we report a benchmark comparing our library to related solutions.

In this research, we aim to compare the performance of different classical machine learning models and neural networks in identifying the frequency of occurrence of each digit in a given number. It has various applications in machine learning and computer vision, e.g. for obtaining the frequency of a target object in a visual scene. We considered this problem as a hybrid of classification and regression tasks. We carefully create our own datasets to observe systematic differences between different methods. We evaluate each of the methods using different metrics across multiple datasets.The metrics of performance used were the root mean squared error and mean absolute error for regression evaluation, and accuracy for classification performance evaluation. We observe that decision trees and random forests overfit to the dataset, due to their inherent bias, and are not able to generalize well. We also observe that the neural networks significantly outperform the classical machine learning models in terms of both the regression and classification metrics for both the 6-digit and 10-digit number datasets. Dataset and code are available on github.

Transformers have been successful in many vision tasks, thanks to their capability of capturing long-range dependency. However, their quadratic computational complexity poses a major obstacle for applying them to vision tasks requiring dense predictions, such as object detection, feature matching, stereo, etc. We introduce QuadTree Attention, which reduces the computational complexity from quadratic to linear. Our quadtree transformer builds token pyramids and computes attention in a coarse-to-fine manner. At each level, the top K patches with the highest attention scores are selected, such that at the next level, attention is only evaluated within the relevant regions corresponding to these top K patches. We demonstrate that quadtree attention achieves state-of-the-art performance in various vision tasks, e.g. with 4.0% improvement in feature matching on ScanNet, about 50% flops reduction in stereo matching, 0.4-1.5% improvement in top-1 accuracy on ImageNet classification, 1.2-1.8% improvement on COCO object detection, and 0.7-2.4% improvement on semantic segmentation over previous state-of-the-art transformers. The codes are available at https://github.com/Tangshitao/QuadtreeAttention.

Forest monitoring and education are key to forest protection, education and management, which is an effective way to measure the progress of a country's forest and climate commitments. Due to the lack of a large-scale wild forest monitoring benchmark, the common practice is to train the model on a common outdoor benchmark (e.g., KITTI) and evaluate it on real forest datasets (e.g., CanaTree100). However, there is a large domain gap in this setting, which makes the evaluation and deployment difficult. In this paper, we propose a new photorealistic virtual forest dataset and a multimodal transformer-based algorithm for tree detection and instance segmentation. To the best of our knowledge, it is the first time that a multimodal detection and segmentation algorithm is applied to large-scale forest scenes. We believe that the proposed dataset and method will inspire the simulation, computer vision, education, and forestry communities towards a more comprehensive multi-modal understanding.

Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.