Daily Papers

Temporal action detection (TAD) is a fundamental video understanding task that aims to identify human actions and localize their temporal boundaries in videos. Although this field has achieved remarkable progress in recent years, further progress and real-world applications are impeded by the absence of a standardized framework. Currently, different methods are compared under different implementation settings, evaluation protocols, etc., making it difficult to assess the real effectiveness of a specific technique. To address this issue, we propose OpenTAD, a unified TAD framework consolidating 16 different TAD methods and 9 standard datasets into a modular codebase. In OpenTAD, minimal effort is required to replace one module with a different design, train a feature-based TAD model in end-to-end mode, or switch between the two. OpenTAD also facilitates straightforward benchmarking across various datasets and enables fair and in-depth comparisons among different methods. With OpenTAD, we comprehensively study how innovations in different network components affect detection performance and identify the most effective design choices through extensive experiments. This study has led to a new state-of-the-art TAD method built upon existing techniques for each component. We have made our code and models available at https://github.com/sming256/OpenTAD.

Recent proposed neural network-based Temporal Action Detection (TAD) models are inherently limited to extracting the discriminative representations and modeling action instances with various lengths from complex scenes by shared-weights detection heads. Inspired by the successes in dynamic neural networks, in this paper, we build a novel dynamic feature aggregation (DFA) module that can simultaneously adapt kernel weights and receptive fields at different timestamps. Based on DFA, the proposed dynamic encoder layer aggregates the temporal features within the action time ranges and guarantees the discriminability of the extracted representations. Moreover, using DFA helps to develop a Dynamic TAD head (DyHead), which adaptively aggregates the multi-scale features with adjusted parameters and learned receptive fields better to detect the action instances with diverse ranges from videos. With the proposed encoder layer and DyHead, a new dynamic TAD model, DyFADet, achieves promising performance on a series of challenging TAD benchmarks, including HACS-Segment, THUMOS14, ActivityNet-1.3, Epic-Kitchen 100, Ego4D-Moment QueriesV1.0, and FineAction. Code is released to https://github.com/yangle15/DyFADet-pytorch.

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.

Large-scale multimodal pre-trained models like CLIP rely heavily on high-quality training data, yet raw web-crawled datasets are often noisy, misaligned, and redundant, leading to inefficient training and suboptimal generalization. Existing data selection methods are either heuristic-based, suffering from bias and limited diversity, or data-driven but task-agnostic, failing to optimize for multi-task scenarios. To address these gaps, we introduce TADS (Task-Aware Data Selection), a novel framework for multi-task multimodal pre-training that integrates Intrinsic Quality, Task Relevance, and Distributional Diversity into a learnable value function. TADS employs a comprehensive quality assessment system with unimodal and cross-modal operators, quantifies task relevance via interpretable similarity vectors, and optimizes diversity through cluster-based weighting. A feedback-driven meta-learning mechanism adaptively refines the selection strategy based on proxy model performance across multiple downstream tasks. Experiments on CC12M demonstrate that TADS achieves superior zero-shot performance on benchmarks like ImageNet, CIFAR-100, MS-COCO, and Flickr30K, using only 36% of the data while outperforming baselines by an average of 1.0%. This highlights that TADS significantly enhances data efficiency by curating a high-utility subset that yields a much higher performance ceiling within the same computational constraints.

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.

We present a benchmark for large language models designed to tackle one of the most knowledge-intensive tasks in data science: writing feature engineering code, which requires domain knowledge in addition to a deep understanding of the underlying problem and data structure. The model is provided with a dataset description in a prompt and asked to generate code transforming it. The evaluation score is derived from the improvement achieved by an XGBoost model fit on the modified dataset compared to the original data. By an extensive evaluation of state-of-the-art models and comparison to well-established benchmarks, we demonstrate that the FeatEng of our proposal can cheaply and efficiently assess the broad capabilities of LLMs, in contrast to the existing methods.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Information flows by routes inside the network via mechanisms implemented in the model. These routes can be represented as graphs where nodes correspond to token representations and edges to operations inside the network. We automatically build these graphs in a top-down manner, for each prediction leaving only the most important nodes and edges. In contrast to the existing workflows relying on activation patching, we do this through attribution: this allows us to efficiently uncover existing circuits with just a single forward pass. Additionally, the applicability of our method is far beyond patching: we do not need a human to carefully design prediction templates, and we can extract information flow routes for any prediction (not just the ones among the allowed templates). As a result, we can talk about model behavior in general, for specific types of predictions, or different domains. We experiment with Llama 2 and show that the role of some attention heads is overall important, e.g. previous token heads and subword merging heads. Next, we find similarities in Llama 2 behavior when handling tokens of the same part of speech. Finally, we show that some model components can be specialized on domains such as coding or multilingual texts.

Mobile app reviews are a large-scale data source for software-related knowledge generation activities, including software maintenance, evolution and feedback analysis. Effective extraction of features (i.e., functionalities or characteristics) from these reviews is key to support analysis on the acceptance of these features, identification of relevant new feature requests and prioritization of feature development, among others. Traditional methods focus on syntactic pattern-based approaches, typically context-agnostic, evaluated on a closed set of apps, difficult to replicate and limited to a reduced set and domain of apps. Meanwhile, the pervasiveness of Large Language Models (LLMs) based on the Transformer architecture in software engineering tasks lays the groundwork for empirical evaluation of the performance of these models to support feature extraction. In this study, we present T-FREX, a Transformer-based, fully automatic approach for mobile app review feature extraction. First, we collect a set of ground truth features from users in a real crowdsourced software recommendation platform and transfer them automatically into a dataset of app reviews. Then, we use this newly created dataset to fine-tune multiple LLMs on a named entity recognition task under different data configurations. We assess the performance of T-FREX with respect to this ground truth, and we complement our analysis by comparing T-FREX with a baseline method from the field. Finally, we assess the quality of new features predicted by T-FREX through an external human evaluation. Results show that T-FREX outperforms on average the traditional syntactic-based method, especially when discovering new features from a domain for which the model has been fine-tuned.

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.

Programs are an increasingly popular representation for visual data, exposing compact, interpretable structure that supports manipulation. Visual programs are usually written in domain-specific languages (DSLs). Finding "good" programs, that only expose meaningful degrees of freedom, requires access to a DSL with a "good" library of functions, both of which are typically authored by domain experts. We present ShapeCoder, the first system capable of taking a dataset of shapes, represented with unstructured primitives, and jointly discovering (i) useful abstraction functions and (ii) programs that use these abstractions to explain the input shapes. The discovered abstractions capture common patterns (both structural and parametric) across the dataset, so that programs rewritten with these abstractions are more compact, and expose fewer degrees of freedom. ShapeCoder improves upon previous abstraction discovery methods, finding better abstractions, for more complex inputs, under less stringent input assumptions. This is principally made possible by two methodological advancements: (a) a shape to program recognition network that learns to solve sub-problems and (b) the use of e-graphs, augmented with a conditional rewrite scheme, to determine when abstractions with complex parametric expressions can be applied, in a tractable manner. We evaluate ShapeCoder on multiple datasets of 3D shapes, where primitive decompositions are either parsed from manual annotations or produced by an unsupervised cuboid abstraction method. In all domains, ShapeCoder discovers a library of abstractions that capture high-level relationships, remove extraneous degrees of freedom, and achieve better dataset compression compared with alternative approaches. Finally, we investigate how programs rewritten to use discovered abstractions prove useful for downstream tasks.

We propose a novel method for discovering shape regions that strongly correlate with user-prescribed tags. For example, given a collection of chairs tagged as either "has armrest" or "lacks armrest", our system correctly highlights the armrest regions as the main distinctive parts between the two chair types. To obtain point-wise predictions from shape-wise tags we develop a novel neural network architecture that is trained with tag classification loss, but is designed to rely on segmentation to predict the tag. Our network is inspired by U-Net, but we replicate shallow U structures several times with new skip connections and pooling layers, and call the resulting architecture "WU-Net". We test our method on segmentation benchmarks and show that even with weak supervision of whole shape tags, our method can infer meaningful semantic regions, without ever observing shape segmentations. Further, once trained, the model can process shapes for which the tag is entirely unknown. As a bonus, our architecture is directly operational under full supervision and performs strongly on standard benchmarks. We validate our method through experiments with many variant architectures and prior baselines, and demonstrate several applications.

In recent times Large Language Models have exhibited tremendous capabilities, especially in the areas of mathematics, code generation and general-purpose reasoning. However for specialized domains especially in applications that require parsing and analyzing large chunks of numeric or tabular data even state-of-the-art (SOTA) models struggle. In this paper, we introduce a new approach to solving domain-specific tabular data analysis tasks by presenting a unique RAG workflow that mitigates the scalability issues of existing tabular LLM solutions. Specifically, we present Tabular Embedding Model (TEM), a novel approach to fine-tune embedding models for tabular Retrieval-Augmentation Generation (RAG) applications. Embedding models form a crucial component in the RAG workflow and even current SOTA embedding models struggle as they are predominantly trained on textual datasets and thus underperform in scenarios involving complex tabular data. The evaluation results showcase that our approach not only outperforms current SOTA embedding models in this domain but also does so with a notably smaller and more efficient model structure.

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.

We consider the problem of source-free unsupervised category-level pose estimation from only RGB images to a target domain without any access to source domain data or 3D annotations during adaptation. Collecting and annotating real-world 3D data and corresponding images is laborious, expensive, yet unavoidable process, since even 3D pose domain adaptation methods require 3D data in the target domain. We introduce 3DUDA, a method capable of adapting to a nuisance-ridden target domain without 3D or depth data. Our key insight stems from the observation that specific object subparts remain stable across out-of-domain (OOD) scenarios, enabling strategic utilization of these invariant subcomponents for effective model updates. We represent object categories as simple cuboid meshes, and harness a generative model of neural feature activations modeled at each mesh vertex learnt using differential rendering. We focus on individual locally robust mesh vertex features and iteratively update them based on their proximity to corresponding features in the target domain even when the global pose is not correct. Our model is then trained in an EM fashion, alternating between updating the vertex features and the feature extractor. We show that our method simulates fine-tuning on a global pseudo-labeled dataset under mild assumptions, which converges to the target domain asymptotically. Through extensive empirical validation, including a complex extreme UDA setup which combines real nuisances, synthetic noise, and occlusion, we demonstrate the potency of our simple approach in addressing the domain shift challenge and significantly improving pose estimation accuracy.

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.

In this study, we introduce FEET, a standardized protocol designed to guide the development and benchmarking of foundation models. While numerous benchmark datasets exist for evaluating these models, we propose a structured evaluation protocol across three distinct scenarios to gain a comprehensive understanding of their practical performance. We define three primary use cases: frozen embeddings, few-shot embeddings, and fully fine-tuned embeddings. Each scenario is detailed and illustrated through two case studies: one in sentiment analysis and another in the medical domain, demonstrating how these evaluations provide a thorough assessment of foundation models' effectiveness in research applications. We recommend this protocol as a standard for future research aimed at advancing representation learning models.

Relational databases are the de facto standard for storing and querying structured data, and extracting insights from structured data requires advanced analytics. Deep neural networks (DNNs) have achieved super-human prediction performance in particular data types, e.g., images. However, existing DNNs may not produce meaningful results when applied to structured data. The reason is that there are correlations and dependencies across combinations of attribute values in a table, and these do not follow simple additive patterns that can be easily mimicked by a DNN. The number of possible such cross features is combinatorial, making them computationally prohibitive to model. Furthermore, the deployment of learning models in real-world applications has also highlighted the need for interpretability, especially for high-stakes applications, which remains another issue of concern to DNNs. In this paper, we present ARM-Net, an adaptive relation modeling network tailored for structured data, and a lightweight framework ARMOR based on ARM-Net for relational data analytics. The key idea is to model feature interactions with cross features selectively and dynamically, by first transforming the input features into exponential space, and then determining the interaction order and interaction weights adaptively for each cross feature. We propose a novel sparse attention mechanism to dynamically generate the interaction weights given the input tuple, so that we can explicitly model cross features of arbitrary orders with noisy features filtered selectively. Then during model inference, ARM-Net can specify the cross features being used for each prediction for higher accuracy and better interpretability. Our extensive experiments on real-world datasets demonstrate that ARM-Net consistently outperforms existing models and provides more interpretable predictions for data-driven decision making.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

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.

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.

Despite rapid advances in Large Language Models and Multimodal Large Language Models (LLMs), numerous challenges related to interpretability, scalability, resource requirements and repeatability remain, related to their application in the design-to-code space. To address this, we introduce the Large Design Models (LDMs) paradigm specifically trained on designs and webpages to enable seamless conversion from design-to-code. We have developed a training and inference pipeline by incorporating data engineering and appropriate model architecture modification. The training pipeline consists of the following: 1)Design Optimiser: developed using a proprietary ground truth dataset and addresses sub-optimal designs; 2)Tagging and feature detection: using pre-trained and fine-tuned models, this enables the accurate detection and classification of UI elements; and 3)Auto Components: extracts repeated UI structures into reusable components to enable creation of modular code, thus reducing redundancy while enhancing code reusability. In this manner, each model addresses distinct but key issues for design-to-code conversion. Separately, our inference pipeline processes real-world designs to produce precise and interpretable instructions for code generation and ensures reliability. Additionally, our models illustrated exceptional end-to-end design-to-code conversion accuracy using a novel preview match score metric. Comparative experiments indicated superior performance of LDMs against LLMs on accuracy of node positioning, responsiveness and reproducibility. Moreover, our custom-trained tagging and feature detection model demonstrated high precision and consistency in identifying UI elements across a wide sample of test designs. Thus, our proposed LDMs are a reliable and superior solution to understanding designs that subsequently enable the generation of efficient and reliable production-ready code.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

For an LLM to correctly respond to an instruction it must understand both the semantics and the domain (i.e., subject area) of a given task-instruction pair. However, syntax can also convey implicit information Recent work shows that syntactic templates -- frequent sequences of Part-of-Speech (PoS) tags -- are prevalent in training data and often appear in model outputs. In this work we characterize syntactic templates, domain, and semantics in task-instruction pairs. We identify cases of spurious correlations between syntax and domain, where models learn to associate a domain with syntax during training; this can sometimes override prompt semantics. Using a synthetic training dataset, we find that the syntactic-domain correlation can lower performance (mean 0.51 +/- 0.06) on entity knowledge tasks in OLMo-2 models (1B-13B). We introduce an evaluation framework to detect this phenomenon in trained models, and show that it occurs on a subset of the FlanV2 dataset in open (OLMo-2-7B; Llama-4-Maverick), and closed (GPT-4o) models. Finally, we present a case study on the implications for safety finetuning, showing that unintended syntactic-domain correlations can be used to bypass refusals in OLMo-2-7B Instruct and GPT-4o. Our findings highlight two needs: (1) to explicitly test for syntactic-domain correlations, and (2) to ensure syntactic diversity in training data, specifically within domains, to prevent such spurious correlations.

There is a growing body of work that leverages features extracted via topological data analysis to train machine learning models. While this field, sometimes known as topological machine learning (TML), has seen some notable successes, an understanding of how the process of learning from topological features differs from the process of learning from raw data is still limited. In this work, we begin to address one component of this larger issue by asking whether a model trained with topological features learns internal representations of data that are fundamentally different than those learned by a model trained with the original raw data. To quantify ``different'', we exploit two popular metrics that can be used to measure the similarity of the hidden representations of data within neural networks, neural stitching and centered kernel alignment. From these we draw a range of conclusions about how training with topological features does and does not change the representations that a model learns. Perhaps unsurprisingly, we find that structurally, the hidden representations of models trained and evaluated on topological features differ substantially compared to those trained and evaluated on the corresponding raw data. On the other hand, our experiments show that in some cases, these representations can be reconciled (at least to the degree required to solve the corresponding task) using a simple affine transformation. We conjecture that this means that neural networks trained on raw data may extract some limited topological features in the process of making predictions.

Language models and specialized table embedding models have recently demonstrated strong performance on many tasks over tabular data. Researchers and practitioners are keen to leverage these models in many new application contexts; but limited understanding of the strengths and weaknesses of these models, and the table representations they generate, makes the process of finding a suitable model for a given task reliant on trial and error. There is an urgent need to gain a comprehensive understanding of these models to minimize inefficiency and failures in downstream usage. To address this need, we propose Observatory, a formal framework to systematically analyze embedding representations of relational tables. Motivated both by invariants of the relational data model and by statistical considerations regarding data distributions, we define eight primitive properties, and corresponding measures to quantitatively characterize table embeddings for these properties. Based on these properties, we define an extensible framework to evaluate language and table embedding models. We collect and synthesize a suite of datasets and use Observatory to analyze nine such models. Our analysis provides insights into the strengths and weaknesses of learned representations over tables. We find, for example, that some models are sensitive to table structure such as column order, that functional dependencies are rarely reflected in embeddings, and that specialized table embedding models have relatively lower sample fidelity. Such insights help researchers and practitioners better anticipate model behaviors and select appropriate models for their downstream tasks, while guiding researchers in the development of new models.

Variable names are critical for conveying intended program behavior. Machine learning-based program analysis methods use variable name representations for a wide range of tasks, such as suggesting new variable names and bug detection. Ideally, such methods could capture semantic relationships between names beyond syntactic similarity, e.g., the fact that the names average and mean are similar. Unfortunately, previous work has found that even the best of previous representation approaches primarily capture relatedness (whether two variables are linked at all), rather than similarity (whether they actually have the same meaning). We propose VarCLR, a new approach for learning semantic representations of variable names that effectively captures variable similarity in this stricter sense. We observe that this problem is an excellent fit for contrastive learning, which aims to minimize the distance between explicitly similar inputs, while maximizing the distance between dissimilar inputs. This requires labeled training data, and thus we construct a novel, weakly-supervised variable renaming dataset mined from GitHub edits. We show that VarCLR enables the effective application of sophisticated, general-purpose language models like BERT, to variable name representation and thus also to related downstream tasks like variable name similarity search or spelling correction. VarCLR produces models that significantly outperform the state-of-the-art on IdBench, an existing benchmark that explicitly captures variable similarity (as distinct from relatedness). Finally, we contribute a release of all data, code, and pre-trained models, aiming to provide a drop-in replacement for variable representations used in either existing or future program analyses that rely on variable names.

While image captioning has gained significant attention, the potential of captioning time-series images, prevalent in areas like finance and healthcare, remains largely untapped. Existing time-series captioning methods typically offer generic, domain-agnostic descriptions of time-series shapes and struggle to adapt to new domains without substantial retraining. To address these limitations, we introduce TADACap, a retrieval-based framework to generate domain-aware captions for time-series images, capable of adapting to new domains without retraining. Building on TADACap, we propose a novel retrieval strategy that retrieves diverse image-caption pairs from a target domain database, namely TADACap-diverse. We benchmarked TADACap-diverse against state-of-the-art methods and ablation variants. TADACap-diverse demonstrates comparable semantic accuracy while requiring significantly less annotation effort.

We present a method that can recognize new objects and estimate their 3D pose in RGB images even under partial occlusions. Our method requires neither a training phase on these objects nor real images depicting them, only their CAD models. It relies on a small set of training objects to learn local object representations, which allow us to locally match the input image to a set of "templates", rendered images of the CAD models for the new objects. In contrast with the state-of-the-art methods, the new objects on which our method is applied can be very different from the training objects. As a result, we are the first to show generalization without retraining on the LINEMOD and Occlusion-LINEMOD datasets. Our analysis of the failure modes of previous template-based approaches further confirms the benefits of local features for template matching. We outperform the state-of-the-art template matching methods on the LINEMOD, Occlusion-LINEMOD and T-LESS datasets. Our source code and data are publicly available at https://github.com/nv-nguyen/template-pose

Language models pretrained on large collections of tabular data have demonstrated their effectiveness in several downstream tasks. However, many of these models do not take into account the row/column permutation invariances, hierarchical structure, etc. that exist in tabular data. To alleviate these limitations, we propose HYTREL, a tabular language model, that captures the permutation invariances and three more structural properties of tabular data by using hypergraphs - where the table cells make up the nodes and the cells occurring jointly together in each row, column, and the entire table are used to form three different types of hyperedges. We show that HYTREL is maximally invariant under certain conditions for tabular data, i.e., two tables obtain the same representations via HYTREL iff the two tables are identical up to permutations. Our empirical results demonstrate that HYTREL consistently outperforms other competitive baselines on four downstream tasks with minimal pretraining, illustrating the advantages of incorporating the inductive biases associated with tabular data into the representations. Finally, our qualitative analyses showcase that HYTREL can assimilate the table structures to generate robust representations for the cells, rows, columns, and the entire table.

Survey data can contain a high number of features while having a comparatively low quantity of examples. Machine learning models that attempt to predict outcomes from survey data under these conditions can overfit and result in poor generalizability. One remedy to this issue is feature selection, which attempts to select an optimal subset of features to learn upon. A relatively unexplored source of information in the feature selection process is the usage of textual names of features, which may be semantically indicative of which features are relevant to a target outcome. The relationships between feature names and target names can be evaluated using language models (LMs) to produce semantic textual similarity (STS) scores, which can then be used to select features. We examine the performance using STS to select features directly and in the minimal-redundancy-maximal-relevance (mRMR) algorithm. The performance of STS as a feature selection metric is evaluated against preliminary survey data collected as a part of a clinical study on persistent post-surgical pain (PPSP). The results suggest that features selected with STS can result in higher performance models compared to traditional feature selection algorithms.

We introduce Domain-specific Masks for Generalization, a model for improving both in-domain and out-of-domain generalization performance. For domain generalization, the goal is to learn from a set of source domains to produce a single model that will best generalize to an unseen target domain. As such, many prior approaches focus on learning representations which persist across all source domains with the assumption that these domain agnostic representations will generalize well. However, often individual domains contain characteristics which are unique and when leveraged can significantly aid in-domain recognition performance. To produce a model which best generalizes to both seen and unseen domains, we propose learning domain specific masks. The masks are encouraged to learn a balance of domain-invariant and domain-specific features, thus enabling a model which can benefit from the predictive power of specialized features while retaining the universal applicability of domain-invariant features. We demonstrate competitive performance compared to naive baselines and state-of-the-art methods on both PACS and DomainNet.

Face anti-spoofing (FAS) based on domain generalization (DG) has been recently studied to improve the generalization on unseen scenarios. Previous methods typically rely on domain labels to align the distribution of each domain for learning domain-invariant representations. However, artificial domain labels are coarse-grained and subjective, which cannot reflect real domain distributions accurately. Besides, such domain-aware methods focus on domain-level alignment, which is not fine-grained enough to ensure that learned representations are insensitive to domain styles. To address these issues, we propose a novel perspective for DG FAS that aligns features on the instance level without the need for domain labels. Specifically, Instance-Aware Domain Generalization framework is proposed to learn the generalizable feature by weakening the features' sensitivity to instance-specific styles. Concretely, we propose Asymmetric Instance Adaptive Whitening to adaptively eliminate the style-sensitive feature correlation, boosting the generalization. Moreover, Dynamic Kernel Generator and Categorical Style Assembly are proposed to first extract the instance-specific features and then generate the style-diversified features with large style shifts, respectively, further facilitating the learning of style-insensitive features. Extensive experiments and analysis demonstrate the superiority of our method over state-of-the-art competitors. Code will be publicly available at https://github.com/qianyuzqy/IADG.

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.

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.

Recent advancements in implicit 3D representations and generative models have markedly propelled the field of 3D object generation forward. However, it remains a significant challenge to accurately model geometries with defined sharp features under parametric controls, which is crucial in fields like industrial design and manufacturing. To bridge this gap, we introduce a framework that employs Large Language Models (LLMs) to generate text-driven 3D shapes, manipulating 3D software via program synthesis. We present 3D-PreMise, a dataset specifically tailored for 3D parametric modeling of industrial shapes, designed to explore state-of-the-art LLMs within our proposed pipeline. Our work reveals effective generation strategies and delves into the self-correction capabilities of LLMs using a visual interface. Our work highlights both the potential and limitations of LLMs in 3D parametric modeling for industrial applications.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Constructing computer-aided design (CAD) models is labor-intensive but essential for engineering and manufacturing. Recent advances in Large Language Models (LLMs) have inspired the LLM-based CAD generation by representing CAD as command sequences. But these methods struggle in practical scenarios because command sequence representation does not support entity selection (e.g. faces or edges), limiting its ability to support complex editing operations such as chamfer or fillet. Further, the discretization of a continuous variable during sketch and extrude operations may result in topological errors. To address these limitations, we present Pointer-CAD, a novel LLM-based CAD generation framework that leverages a pointer-based command sequence representation to explicitly incorporate the geometric information of B-rep models into sequential modeling. In particular, Pointer-CAD decomposes CAD model generation into steps, conditioning the generation of each subsequent step on both the textual description and the B-rep generated from previous steps. Whenever an operation requires the selection of a specific geometric entity, the LLM predicts a Pointer that selects the most feature-consistent candidate from the available set. Such a selection operation also reduces the quantization error in the command sequence-based representation. To support the training of Pointer-CAD, we develop a data annotation pipeline that produces expert-level natural language descriptions and apply it to build a dataset of approximately 575K CAD models. Extensive experimental results demonstrate that Pointer-CAD effectively supports the generation of complex geometric structures and reduces segmentation error to an extremely low level, achieving a significant improvement over prior command sequence methods, thereby significantly mitigating the topological inaccuracies introduced by quantization error.

Choosing which properties of the data to use as input to multivariate decision algorithms -- a.k.a. feature selection -- is an important step in solving any problem with machine learning. While there is a clear trend towards training sophisticated deep networks on large numbers of relatively unprocessed inputs (so-called automated feature engineering), for many tasks in physics, sets of theoretically well-motivated and well-understood features already exist. Working with such features can bring many benefits, including greater interpretability, reduced training and run time, and enhanced stability and robustness. We develop a new feature selection method based on Distance Correlation (DisCo), and demonstrate its effectiveness on the tasks of boosted top- and W-tagging. Using our method to select features from a set of over 7,000 energy flow polynomials, we show that we can match the performance of much deeper architectures, by using only ten features and two orders-of-magnitude fewer model parameters.

Pre-trained language models (PLMs) have been the de facto paradigm for most natural language processing (NLP) tasks. This also benefits biomedical domain: researchers from informatics, medicine, and computer science (CS) communities propose various PLMs trained on biomedical datasets, e.g., biomedical text, electronic health records, protein, and DNA sequences for various biomedical tasks. However, the cross-discipline characteristics of biomedical PLMs hinder their spreading among communities; some existing works are isolated from each other without comprehensive comparison and discussions. It expects a survey that not only systematically reviews recent advances of biomedical PLMs and their applications but also standardizes terminology and benchmarks. In this paper, we summarize the recent progress of pre-trained language models in the biomedical domain and their applications in biomedical downstream tasks. Particularly, we discuss the motivations and propose a taxonomy of existing biomedical PLMs. Their applications in biomedical downstream tasks are exhaustively discussed. At last, we illustrate various limitations and future trends, which we hope can provide inspiration for the future research of the research community.

Feature selection is playing an increasingly significant role with respect to many computer vision applications spanning from object recognition to visual object tracking. However, most of the recent solutions in feature selection are not robust across different and heterogeneous set of data. In this paper, we address this issue proposing a robust probabilistic latent graph-based feature selection algorithm that performs the ranking step while considering all the possible subsets of features, as paths on a graph, bypassing the combinatorial problem analytically. An appealing characteristic of the approach is that it aims to discover an abstraction behind low-level sensory data, that is, relevancy. Relevancy is modelled as a latent variable in a PLSA-inspired generative process that allows the investigation of the importance of a feature when injected into an arbitrary set of cues. The proposed method has been tested on ten diverse benchmarks, and compared against eleven state of the art feature selection methods. Results show that the proposed approach attains the highest performance levels across many different scenarios and difficulties, thereby confirming its strong robustness while setting a new state of the art in feature selection domain.

This work presents AdditiveLLM2 a multi-modal, domain adapted large language model built upon the instruction tuned variant of the Gemma 3 model using a relatively small dataset of around 50 million tokens. The dataset (AdditiveLLM2-OA) consists of open-access additive manufacturing journal articles with data extracted for the domain adaptive pretraining and visual instruction tuning processes. Various stages of the developed model are evaluated with the Additive-Manufacturing-Benchmark which consists of additive manufacturing domain specific tasks compiled published resources. AdditiveLLM2 exhibits proficiency in both language and vision based tasks, achieving accuracies upwards of 90% in general additive manufacturing knowledge. This domain adaptive pretraining and instruction tuning strategy outline an accessible specialization method for large language models to a domain such as additive manufacturing.

As machine learning models become increasingly larger, trained weakly supervised on large, possibly uncurated data sets, it becomes increasingly important to establish mechanisms for inspecting, interacting, and revising models to mitigate learning shortcuts and guarantee their learned knowledge is aligned with human knowledge. The recently proposed XIL framework was developed for this purpose, and several such methods have been introduced, each with individual motivations and methodological details. In this work, we provide a unification of various XIL methods into a single typology by establishing a common set of basic modules. In doing so, we pave the way for a principled comparison of existing, but, importantly, also future XIL approaches. In addition, we discuss existing and introduce novel measures and benchmarks for evaluating the overall abilities of a XIL method. Given this extensive toolbox, including our typology, measures, and benchmarks, we finally compare several recent XIL methods methodologically and quantitatively. In our evaluations, all methods prove to revise a model successfully. However, we found remarkable differences in individual benchmark tasks, revealing valuable application-relevant aspects for integrating these benchmarks in developing future methods.

In this paper, we present CAD2Program, a new method for reconstructing 3D parametric models from 2D CAD drawings. Our proposed method is inspired by recent successes in vision-language models (VLMs), and departs from traditional methods which rely on task-specific data representations and/or algorithms. Specifically, on the input side, we simply treat the 2D CAD drawing as a raster image, regardless of its original format, and encode the image with a standard ViT model. We show that such an encoding scheme achieves competitive performance against existing methods that operate on vector-graphics inputs, while imposing substantially fewer restrictions on the 2D drawings. On the output side, our method auto-regressively predicts a general-purpose language describing 3D parametric models in text form. Compared to other sequence modeling methods for CAD which use domain-specific sequence representations with fixed-size slots, our text-based representation is more flexible, and can be easily extended to arbitrary geometric entities and semantic or functional properties. Experimental results on a large-scale dataset of cabinet models demonstrate the effectiveness of our method.

A widely used strategy to discover and understand language model mechanisms is circuit analysis. A circuit is a minimal subgraph of a model's computation graph that executes a specific task. We identify a gap in existing circuit discovery methods: they assume circuits are position-invariant, treating model components as equally relevant across input positions. This limits their ability to capture cross-positional interactions or mechanisms that vary across positions. To address this gap, we propose two improvements to incorporate positionality into circuits, even on tasks containing variable-length examples. First, we extend edge attribution patching, a gradient-based method for circuit discovery, to differentiate between token positions. Second, we introduce the concept of a dataset schema, which defines token spans with similar semantics across examples, enabling position-aware circuit discovery in datasets with variable length examples. We additionally develop an automated pipeline for schema generation and application using large language models. Our approach enables fully automated discovery of position-sensitive circuits, yielding better trade-offs between circuit size and faithfulness compared to prior work.

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

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.

As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our https://github.com/automl/CAAFE{code}, a simple https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a{demo} and a https://pypi.org/project/caafe/{python package}.

Deep-learning models can extract a rich assortment of features from data. Which features a model uses depends not only on predictivity-how reliably a feature indicates train-set labels-but also on availability-how easily the feature can be extracted, or leveraged, from inputs. The literature on shortcut learning has noted examples in which models privilege one feature over another, for example texture over shape and image backgrounds over foreground objects. Here, we test hypotheses about which input properties are more available to a model, and systematically study how predictivity and availability interact to shape models' feature use. We construct a minimal, explicit generative framework for synthesizing classification datasets with two latent features that vary in predictivity and in factors we hypothesize to relate to availability, and quantify a model's shortcut bias-its over-reliance on the shortcut (more available, less predictive) feature at the expense of the core (less available, more predictive) feature. We find that linear models are relatively unbiased, but introducing a single hidden layer with ReLU or Tanh units yields a bias. Our empirical findings are consistent with a theoretical account based on Neural Tangent Kernels. Finally, we study how models used in practice trade off predictivity and availability in naturalistic datasets, discovering availability manipulations which increase models' degree of shortcut bias. Taken together, these findings suggest that the propensity to learn shortcut features is a fundamental characteristic of deep nonlinear architectures warranting systematic study given its role in shaping how models solve tasks.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

Domain Generalization aims to develop models that can generalize to novel and unseen data distributions. In this work, we study how model architectures and pre-training objectives impact feature richness and propose a method to effectively leverage them for domain generalization. Specifically, given a pre-trained feature space, we first discover latent domain structures, referred to as pseudo-domains, that capture domain-specific variations in an unsupervised manner. Next, we augment existing classifiers with these complementary pseudo-domain representations making them more amenable to diverse unseen test domains. We analyze how different pre-training feature spaces differ in the domain-specific variances they capture. Our empirical studies reveal that features from diffusion models excel at separating domains in the absence of explicit domain labels and capture nuanced domain-specific information. On 5 datasets, we show that our very simple framework improves generalization to unseen domains by a maximum test accuracy improvement of over 4% compared to the standard baseline Empirical Risk Minimization (ERM). Crucially, our method outperforms most algorithms that access domain labels during training.

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation tasks in a single model that is based on discrete state-space diffusion models. Our model, named LayoutDM, naturally handles the structured layout data in the discrete representation and learns to progressively infer a noiseless layout from the initial input, where we model the layout corruption process by modality-wise discrete diffusion. For conditional generation, we propose to inject layout constraints in the form of masking or logit adjustment during inference. We show in the experiments that our LayoutDM successfully generates high-quality layouts and outperforms both task-specific and task-agnostic baselines on several layout tasks.

Causal precedence between biochemical interactions is crucial in the biomedical domain, because it transforms collections of individual interactions, e.g., bindings and phosphorylations, into the causal mechanisms needed to inform meaningful search and inference. Here, we analyze causal precedence in the biomedical domain as distinct from open-domain, temporal precedence. First, we describe a novel, hand-annotated text corpus of causal precedence in the biomedical domain. Second, we use this corpus to investigate a battery of models of precedence, covering rule-based, feature-based, and latent representation models. The highest-performing individual model achieved a micro F1 of 43 points, approaching the best performers on the simpler temporal-only precedence tasks. Feature-based and latent representation models each outperform the rule-based models, but their performance is complementary to one another. We apply a sieve-based architecture to capitalize on this lack of overlap, achieving a micro F1 score of 46 points.

Large language models (LLMs) have significantly advanced the field of natural language processing (NLP), providing a highly useful, task-agnostic foundation for a wide range of applications. However, directly applying LLMs to solve sophisticated problems in specific domains meets many hurdles, caused by the heterogeneity of domain data, the sophistication of domain knowledge, the uniqueness of domain objectives, and the diversity of the constraints (e.g., various social norms, cultural conformity, religious beliefs, and ethical standards in the domain applications). Domain specification techniques are key to make large language models disruptive in many applications. Specifically, to solve these hurdles, there has been a notable increase in research and practices conducted in recent years on the domain specialization of LLMs. This emerging field of study, with its substantial potential for impact, necessitates a comprehensive and systematic review to better summarize and guide ongoing work in this area. In this article, we present a comprehensive survey on domain specification techniques for large language models, an emerging direction critical for large language model applications. First, we propose a systematic taxonomy that categorizes the LLM domain-specialization techniques based on the accessibility to LLMs and summarizes the framework for all the subcategories as well as their relations and differences to each other. Second, we present an extensive taxonomy of critical application domains that can benefit dramatically from specialized LLMs, discussing their practical significance and open challenges. Last, we offer our insights into the current research status and future trends in this area.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

Despite the ability to train capable LLMs, the methodology for maintaining their relevancy and rectifying errors remains elusive. To this end, the past few years have witnessed a surge in techniques for editing LLMs, the objective of which is to efficiently alter the behavior of LLMs within a specific domain without negatively impacting performance across other inputs. This paper embarks on a deep exploration of the problems, methods, and opportunities related to model editing for LLMs. In particular, we provide an exhaustive overview of the task definition and challenges associated with model editing, along with an in-depth empirical analysis of the most progressive methods currently at our disposal. We also build a new benchmark dataset to facilitate a more robust evaluation and pinpoint enduring issues intrinsic to existing techniques. Our objective is to provide valuable insights into the effectiveness and feasibility of each editing technique, thereby assisting the community in making informed decisions on the selection of the most appropriate method for a specific task or context. Code and datasets are available at https://github.com/zjunlp/EasyEdit.

Graph-structured data are the commonly used and have wide application scenarios in the real world. For these diverse applications, the vast variety of learning tasks, graph domains, and complex graph learning procedures present challenges for human experts when designing versatile graph learning approaches. Facing these challenges, large language models (LLMs) offer a potential solution due to the extensive knowledge and the human-like intelligence. This paper proposes a novel conceptual prototype for designing versatile graph learning methods with LLMs, with a particular focus on the "where" and "how" perspectives. From the "where" perspective, we summarize four key graph learning procedures, including task definition, graph data feature engineering, model selection and optimization, deployment and serving. We then explore the application scenarios of LLMs in these procedures across a wider spectrum. In the "how" perspective, we align the abilities of LLMs with the requirements of each procedure. Finally, we point out the promising directions that could better leverage the strength of LLMs towards versatile graph learning methods.

This work studies the generalization issue of face anti-spoofing (FAS) models on domain gaps, such as image resolution, blurriness and sensor variations. Most prior works regard domain-specific signals as a negative impact, and apply metric learning or adversarial losses to remove them from feature representation. Though learning a domain-invariant feature space is viable for the training data, we show that the feature shift still exists in an unseen test domain, which backfires on the generalizability of the classifier. In this work, instead of constructing a domain-invariant feature space, we encourage domain separability while aligning the live-to-spoof transition (i.e., the trajectory from live to spoof) to be the same for all domains. We formulate this FAS strategy of separability and alignment (SA-FAS) as a problem of invariant risk minimization (IRM), and learn domain-variant feature representation but domain-invariant classifier. We demonstrate the effectiveness of SA-FAS on challenging cross-domain FAS datasets and establish state-of-the-art performance.

This paper presents a data-driven, task-specific paradigm for experimental design, to shorten acquisition time, reduce costs, and accelerate the deployment of imaging devices. Current approaches in experimental design focus on model-parameter estimation and require specification of a particular model, whereas in imaging, other tasks may drive the design. Furthermore, such approaches often lead to intractable optimization problems in real-world imaging applications. Here we present a new paradigm for experimental design that simultaneously optimizes the design (set of image channels) and trains a machine-learning model to execute a user-specified image-analysis task. The approach obtains data densely-sampled over the measurement space (many image channels) for a small number of acquisitions, then identifies a subset of channels of prespecified size that best supports the task. We propose a method: TADRED for TAsk-DRiven Experimental Design in imaging, to identify the most informative channel-subset whilst simultaneously training a network to execute the task given the subset. Experiments demonstrate the potential of TADRED in diverse imaging applications: several clinically-relevant tasks in magnetic resonance imaging; and remote sensing and physiological applications of hyperspectral imaging. Results show substantial improvement over classical experimental design, two recent application-specific methods within the new paradigm, and state-of-the-art approaches in supervised feature selection. We anticipate further applications of our approach. Code is available: https://github.com/sbb-gh/experimental-design-multichannel

Creating machines capable of understanding the world in 3D is essential in assisting designers that build and edit 3D environments and robots navigating and interacting within a three-dimensional space. Inspired by advances in language and image modeling, we investigate the potential of autoregressive models for a new modality: structured 3D scenes. To this end, we propose a unified LLM framework that aligns language, images, and 3D scenes and provide a detailed ''cookbook'' outlining critical design choices for achieving optimal training and performance addressing key questions related to data representation, modality-specific objectives, and more. We evaluate performance across four core 3D tasks -- rendering, recognition, instruction-following, and question-answering -- and four 3D datasets, synthetic and real-world. We extend our approach to reconstruct complex 3D object shapes by enriching our 3D modality with quantized shape encodings, and show our model's effectiveness on real-world 3D object recognition tasks. Project webpage: https://glab-caltech.github.io/kyvo/

Deep neural networks learn fragile "shortcut" features, rendering them difficult to interpret (black box) and vulnerable to adversarial attacks. This paper proposes semantic features as a general architectural solution to this problem. The main idea is to make features locality-sensitive in the adequate semantic topology of the domain, thus introducing a strong regularization. The proof of concept network is lightweight, inherently interpretable and achieves almost human-level adversarial test metrics - with no adversarial training! These results and the general nature of the approach warrant further research on semantic features. The code is available at https://github.com/314-Foundation/white-box-nn

In this paper we introduce a novel family of attributed graphs for the purpose of shape discrimination. Our graphs typically arise from variations on the Mapper graph construction, which is an approximation of the Reeb graph for point cloud data. Our attributions enrich these constructions with (persistent) homology in ways that are provably stable, thereby recording extra topological information that is typically lost in these graph constructions. We provide experiments which illustrate the use of these invariants for shape representation and classification. In particular, we obtain competitive shape classification results when using our topologically attributed graphs as inputs to a simple graph neural network classifier.

Models trained on one set of domains often suffer performance drops on unseen domains, e.g., when wildlife monitoring models are deployed in new camera locations. In this work, we study principles for designing data augmentations for out-of-domain (OOD) generalization. In particular, we focus on real-world scenarios in which some domain-dependent features are robust, i.e., some features that vary across domains are predictive OOD. For example, in the wildlife monitoring application above, image backgrounds vary across camera locations but indicate habitat type, which helps predict the species of photographed animals. Motivated by theoretical analysis on a linear setting, we propose targeted augmentations, which selectively randomize spurious domain-dependent features while preserving robust ones. We prove that targeted augmentations improve OOD performance, allowing models to generalize better with fewer domains. In contrast, existing approaches such as generic augmentations, which fail to randomize domain-dependent features, and domain-invariant augmentations, which randomize all domain-dependent features, both perform poorly OOD. In experiments on three real-world datasets, we show that targeted augmentations set new states-of-the-art for OOD performance by 3.2-15.2%.

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shifts. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure that measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates the superiority of CIL over existing invariance learning methods. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

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.

Recent advances in table understanding have focused on instruction-tuning large language models (LLMs) for table-related tasks. However, existing research has overlooked the impact of hyperparameter choices and lacks a comprehensive evaluation of the out-of-domain table understanding ability and the general capabilities of these table LLMs. In this paper, we evaluate these abilities in existing table LLMs, and reveal significant declines in both out-of-domain table understanding and general capabilities compared to their base models. Through systematic analysis, we show that hyperparameters, such as learning rate, can significantly influence both table-specific and general capabilities. Contrary to the existing table instruction-tuning works, we demonstrate that smaller learning rates and fewer training instances can enhance table understanding while preserving general capabilities. Based on our findings, we introduce TAMA, a TAble LLM instruction-tuned from LLaMA 3.1 8B Instruct, which achieves performance on par with, or surpassing GPT-3.5 and GPT-4 on table tasks, while maintaining strong out-of-domain generalization and general capabilities. Our findings highlight the potential for reduced data annotation costs and more efficient model development through careful hyperparameter selection.

Recent advances in vision-language models (VLMs) have demonstrated remarkable zero-shot capabilities, yet adapting these models to specialized domains remains a significant challenge. Building on recent theoretical insights suggesting that independently trained VLMs are related by a canonical transformation, we extend this understanding to the concept of domains. We hypothesize that image features across disparate domains are related by a canonicalized geometric transformation that can be recovered using a small set of anchors. Few-shot classification provides a natural setting for this alignment, as the limited labeled samples serve as the anchors required to estimate this transformation. Motivated by this hypothesis, we introduce BiCLIP, a framework that applies a targeted transformation to multimodal features to enhance cross-modal alignment. Our approach is characterized by its extreme simplicity and low parameter footprint. Extensive evaluations across 11 standard benchmarks, including EuroSAT, DTD, and FGVCAircraft, demonstrate that BiCLIP consistently achieves state-of-the-art results. Furthermore, we provide empirical verification of existing geometric findings by analyzing the orthogonality and angular distribution of the learned transformations, confirming that structured alignment is the key to robust domain adaptation. Code is available at https://github.com/QuantitativeImagingLaboratory/BilinearCLIP

Tabular data is widely utilized in various machine learning tasks. Current tabular learning research predominantly focuses on closed environments, while in real-world applications, open environments are often encountered, where distribution and feature shifts occur, leading to significant degradation in model performance. Previous research has primarily concentrated on mitigating distribution shifts, whereas feature shifts, a distinctive and unexplored challenge of tabular data, have garnered limited attention. To this end, this paper conducts the first comprehensive study on feature shifts in tabular data and introduces the first tabular feature-shift benchmark (TabFSBench). TabFSBench evaluates impacts of four distinct feature-shift scenarios on four tabular model categories across various datasets and assesses the performance of large language models (LLMs) and tabular LLMs in the tabular benchmark for the first time. Our study demonstrates three main observations: (1) most tabular models have the limited applicability in feature-shift scenarios; (2) the shifted feature set importance has a linear relationship with model performance degradation; (3) model performance in closed environments correlates with feature-shift performance. Future research direction is also explored for each observation. Benchmark: https://github.com/LAMDASZ-ML/TabFSBench.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

Large ground-truth datasets and recent advances in deep learning techniques have been useful for layout detection. However, because of the restricted layout diversity of these datasets, training on them requires a sizable number of annotated instances, which is both expensive and time-consuming. As a result, differences between the source and target domains may significantly impact how well these models function. To solve this problem, domain adaptation approaches have been developed that use a small quantity of labeled data to adjust the model to the target domain. In this research, we introduced a synthetic document dataset called RanLayNet, enriched with automatically assigned labels denoting spatial positions, ranges, and types of layout elements. The primary aim of this endeavor is to develop a versatile dataset capable of training models with robustness and adaptability to diverse document formats. Through empirical experimentation, we demonstrate that a deep layout identification model trained on our dataset exhibits enhanced performance compared to a model trained solely on actual documents. Moreover, we conduct a comparative analysis by fine-tuning inference models using both PubLayNet and IIIT-AR-13K datasets on the Doclaynet dataset. Our findings emphasize that models enriched with our dataset are optimal for tasks such as achieving 0.398 and 0.588 mAP95 score in the scientific document domain for the TABLE class.

Existing PTLM-based models for TSC can be categorized into two groups: 1) fine-tuning-based models that adopt PTLM as the context encoder; 2) prompting-based models that transfer the classification task to the text/word generation task. In this paper, we present a new perspective of leveraging PTLM for TSC: simultaneously leveraging the merits of both language modeling and explicit target-context interactions via contextual target attributes. Specifically, we design the domain- and target-constrained cloze test, which can leverage the PTLMs' strong language modeling ability to generate the given target's attributes pertaining to the review context. The attributes contain the background and property information of the target, which can help to enrich the semantics of the review context and the target. To exploit the attributes for tackling TSC, we first construct a heterogeneous information graph by treating the attributes as nodes and combining them with (1) the syntax graph automatically produced by the off-the-shelf dependency parser and (2) the semantics graph of the review context, which is derived from the self-attention mechanism. Then we propose a heterogeneous information gated graph convolutional network to model the interactions among the attribute information, the syntactic information, and the contextual information. The experimental results on three benchmark datasets demonstrate the superiority of our model, which achieves new state-of-the-art performance.

Learning 3D shape representation with dense correspondence for deformable objects is a fundamental problem in computer vision. Existing approaches often need additional annotations of specific semantic domain, e.g., skeleton poses for human bodies or animals, which require extra annotation effort and suffer from error accumulation, and they are limited to specific domain. In this paper, we propose a novel self-supervised approach to learn neural implicit shape representation for deformable objects, which can represent shapes with a template shape and dense correspondence in 3D. Our method does not require the priors of skeleton and skinning weight, and only requires a collection of shapes represented in signed distance fields. To handle the large deformation, we constrain the learned template shape in the same latent space with the training shapes, design a new formulation of local rigid constraint that enforces rigid transformation in local region and addresses local reflection issue, and present a new hierarchical rigid constraint to reduce the ambiguity due to the joint learning of template shape and correspondences. Extensive experiments show that our model can represent shapes with large deformations. We also show that our shape representation can support two typical applications, such as texture transfer and shape editing, with competitive performance. The code and models are available at https://iscas3dv.github.io/deformshape

The emergence of large language models (LLMs) has significantly impacted various fields, from natural language processing to sectors like medicine and finance. However, despite their rapid proliferation, the applications of LLMs in telecommunications remain limited, often relying on general-purpose models that lack domain-specific specialization. This lack of specialization results in underperformance, particularly when dealing with telecommunications-specific technical terminology and their associated mathematical representations. This paper addresses this gap by first creating and disseminating Tele-Data, a comprehensive dataset of telecommunications material curated from relevant sources, and Tele-Eval, a large-scale question-and-answer dataset tailored to the domain. Through extensive experiments, we explore the most effective training techniques for adapting LLMs to the telecommunications domain, ranging from examining the division of expertise across various telecommunications aspects to employing parameter-efficient techniques. We also investigate how models of different sizes behave during adaptation and analyze the impact of their training data on this behavior. Leveraging these findings, we develop and open-source Tele-LLMs, the first series of language models ranging from 1B to 8B parameters, specifically tailored for telecommunications. Our evaluations demonstrate that these models outperform their general-purpose counterparts on Tele-Eval while retaining their previously acquired capabilities, thus avoiding the catastrophic forgetting phenomenon.

The increasing complexity of AI systems has made understanding their behavior a critical challenge. Numerous methods have been developed to attribute model behavior to three key aspects: input features, training data, and internal model components. However, these attribution methods are studied and applied rather independently, resulting in a fragmented landscape of approaches and terminology. This position paper argues that feature, data, and component attribution methods share fundamental similarities, and bridging them can benefit interpretability research. We conduct a detailed analysis of successful methods across three domains and present a unified view to demonstrate that these seemingly distinct methods employ similar approaches, such as perturbations, gradients, and linear approximations, differing primarily in their perspectives rather than core techniques. Our unified perspective enhances understanding of existing attribution methods, identifies shared concepts and challenges, makes this field more accessible to newcomers, and highlights new directions not only for attribution and interpretability but also for broader AI research, including model editing, steering, and regulation.

Code is increasingly becoming a core data modality of modern machine learning research impacting not only the way we write code with conversational agents like OpenAI's ChatGPT, Google's Bard, or Anthropic's Claude, the way we translate code from one language into another, but also the compiler infrastructure underlying the language. While modeling approaches may vary and representations differ, the targeted tasks often remain the same within the individual classes of models. Relying solely on the ability of modern models to extract information from unstructured code does not take advantage of 70 years of programming language and compiler development by not utilizing the structure inherent to programs in the data collection. This detracts from the performance of models working over a tokenized representation of input code and precludes the use of these models in the compiler itself. To work towards the first intermediate representation (IR) based models, we fully utilize the LLVM compiler infrastructure, shared by a number of languages, to generate a 182B token dataset of LLVM IR. We generated this dataset from programming languages built on the shared LLVM infrastructure, including Rust, Swift, Julia, and C/C++, by hooking into LLVM code generation either through the language's package manager or the compiler directly to extract the dataset of intermediate representations from production grade programs. Statistical analysis proves the utility of our dataset not only for large language model training, but also for the introspection into the code generation process itself with the dataset showing great promise for machine-learned compiler components.

Recent breakthroughs in large language modeling have facilitated rigorous exploration of their application in diverse tasks related to tabular data modeling, such as prediction, tabular data synthesis, question answering, and table understanding. Each task presents unique challenges and opportunities. However, there is currently a lack of comprehensive review that summarizes and compares the key techniques, metrics, datasets, models, and optimization approaches in this research domain. This survey aims to address this gap by consolidating recent progress in these areas, offering a thorough survey and taxonomy of the datasets, metrics, and methodologies utilized. It identifies strengths, limitations, unexplored territories, and gaps in the existing literature, while providing some insights for future research directions in this vital and rapidly evolving field. It also provides relevant code and datasets references. Through this comprehensive review, we hope to provide interested readers with pertinent references and insightful perspectives, empowering them with the necessary tools and knowledge to effectively navigate and address the prevailing challenges in the field.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Limited labeled data makes it hard to train models from scratch in medical domain, and an important paradigm is pre-training and then fine-tuning. Large pre-trained models contain rich representations, which can be adapted to downstream medical tasks. However, existing methods either tune all the parameters or the task-specific layers of the pre-trained models, ignoring the input variations of medical images, and thus they are not efficient or effective. In this work, we aim to study parameter-efficient fine-tuning (PEFT) for medical image analysis, and propose a dynamic visual prompt tuning method, named DVPT. It can extract knowledge beneficial to downstream tasks from large models with a few trainable parameters. Firstly, the frozen features are transformed by an lightweight bottleneck layer to learn the domain-specific distribution of downstream medical tasks, and then a few learnable visual prompts are used as dynamic queries and then conduct cross-attention with the transformed features, attempting to acquire sample-specific knowledge that are suitable for each sample. Finally, the features are projected to original feature dimension and aggregated with the frozen features. This DVPT module can be shared between different Transformer layers, further reducing the trainable parameters. To validate DVPT, we conduct extensive experiments with different pre-trained models on medical classification and segmentation tasks. We find such PEFT method can not only efficiently adapt the pre-trained models to the medical domain, but also brings data efficiency with partial labeled data. For example, with 0.5\% extra trainable parameters, our method not only outperforms state-of-the-art PEFT methods, even surpasses the full fine-tuning by more than 2.20\% Kappa score on medical classification task. It can saves up to 60\% labeled data and 99\% storage cost of ViT-B/16.

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and adapt to an unseen target domain? A major obstacle is that graphs from different domains often exhibit divergent characteristics. Some studies leverage large language models to align multiple domains based on textual descriptions associated with the graphs, limiting their applicability to text-attributed graphs. For text-free graphs, a few recent works attempt to align different feature distributions across domains, while generally neglecting structural differences. In this work, we propose a novel Structure Alignment framework for text-free Multi-domain Graph Pre-Training and cross-domain adaptation (SAMGPT). It is designed to learn multi-domain knowledge from graphs originating in multiple source domains, which can then be adapted to address applications in an unseen target domain. Specifically, we introduce a set of structure tokens to harmonize structure-based aggregation across source domains during the pre-training phase. Next, for cross-domain adaptation, we design dual prompts, namely, holistic prompts and specific prompts, which adapt unified multi-domain structural knowledge and fine-grained, domain-specific information, respectively, to a target domain. Finally, we conduct comprehensive experiments on seven public datasets to evaluate and analyze the effectiveness of SAMGPT.

Universal domain adaptation aims to align the classes and reduce the feature gap between the same category of the source and target domains. The target private category is set as the unknown class during the adaptation process, as it is not included in the source domain. However, most existing methods overlook the intra-class structure within a category, especially in cases where there exists significant concept shift between the samples belonging to the same category. When samples with large concept shift are forced to be pushed together, it may negatively affect the adaptation performance. Moreover, from the interpretability aspect, it is unreasonable to align visual features with significant differences, such as fighter jets and civil aircraft, into the same category. Unfortunately, due to such semantic ambiguity and annotation cost, categories are not always classified in detail, making it difficult for the model to perform precise adaptation. To address these issues, we propose a novel Memory-Assisted Sub-Prototype Mining (MemSPM) method that can learn the differences between samples belonging to the same category and mine sub-classes when there exists significant concept shift between them. By doing so, our model learns a more reasonable feature space that enhances the transferability and reflects the inherent differences among samples annotated as the same category. We evaluate the effectiveness of our MemSPM method over multiple scenarios, including UniDA, OSDA, and PDA. Our method achieves state-of-the-art performance on four benchmarks in most cases.

We present IMDD-1M, the first large-scale Industrial Multimodal Defect Dataset comprising 1,000,000 aligned image-text pairs, designed to advance multimodal learning for manufacturing and quality inspection. IMDD-1M contains high-resolution real-world defects spanning over 60 material categories and more than 400 defect types, each accompanied by expert-verified annotations and fine-grained textual descriptions detailing defect location, severity, and contextual attributes. This dataset enables a wide spectrum of applications, including classification, segmentation, retrieval, captioning, and generative modeling. Building upon IMDD-1M, we train a diffusion-based vision-language foundation model from scratch, specifically tailored for industrial scenarios. The model serves as a generalizable foundation that can be efficiently adapted to specialized domains through lightweight fine-tuning. With less than 5% of the task-specific data required by dedicated expert models, it achieves comparable performance, highlighting the potential of data-efficient foundation model adaptation for industrial inspection and generation, paving the way for scalable, domain-adaptive, and knowledge-grounded manufacturing intelligence.

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

We present a method to build animatable dog avatars from monocular videos. This is challenging as animals display a range of (unpredictable) non-rigid movements and have a variety of appearance details (e.g., fur, spots, tails). We develop an approach that links the video frames via a 4D solution that jointly solves for animal's pose variation, and its appearance (in a canonical pose). To this end, we significantly improve the quality of template-based shape fitting by endowing the SMAL parametric model with Continuous Surface Embeddings, which brings image-to-mesh reprojection constaints that are denser, and thus stronger, than the previously used sparse semantic keypoint correspondences. To model appearance, we propose an implicit duplex-mesh texture that is defined in the canonical pose, but can be deformed using SMAL pose coefficients and later rendered to enforce a photometric compatibility with the input video frames. On the challenging CoP3D and APTv2 datasets, we demonstrate superior results (both in terms of pose estimates and predicted appearance) to existing template-free (RAC) and template-based approaches (BARC, BITE).

Selecting a suitable training dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this data selection problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution, given some unlabeled target samples. Due to the large scale and dimensionality of the raw text data, existing methods use simple heuristics to select data that are similar to a high-quality reference corpus (e.g., Wikipedia), or leverage experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. Crucially, we work in a reduced feature space to make importance weight estimation tractable over the space of text. To determine an appropriate feature space, we first show that KL reduction, a data metric that measures the proximity between selected data and the target in a feature space, has high correlation with average accuracy on 8 downstream tasks (r=0.89) when computed with simple n-gram features. From this observation, we present Data Selection with Importance Resampling (DSIR), an efficient and scalable algorithm that estimates importance weights in a reduced feature space (e.g., n-gram features in our instantiation) and selects data with importance resampling according to these weights. When training general-domain models (target is Wikipedia + books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark. When performing continued pretraining towards a specific domain, DSIR performs comparably to expert curated data across 8 target distributions.

Feature engineering has demonstrated substantial utility for many machine learning workflows, such as in the small data regime or when distribution shifts are severe. Thus automating this capability can relieve much manual effort and improve model performance. Towards this, we propose AutoMAN, or Automated Mask-based Feature Engineering, an automated feature engineering framework that achieves high accuracy, low latency, and can be extended to heterogeneous and time-varying data. AutoMAN is based on effectively exploring the candidate transforms space, without explicitly manifesting transformed features. This is achieved by learning feature importance masks, which can be extended to support other modalities such as time series. AutoMAN learns feature transform importance end-to-end, incorporating a dataset's task target directly into feature engineering, resulting in state-of-the-art performance with significantly lower latency compared to alternatives.

Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.

The Boundary representation (B-rep) format is the de-facto shape representation in computer-aided design (CAD) to model solid and sheet objects. Recent approaches to generating CAD models have focused on learning sketch-and-extrude modeling sequences that are executed by a solid modeling kernel in postprocess to recover a B-rep. In this paper we present a new approach that enables learning from and synthesizing B-reps without the need for supervision through CAD modeling sequence data. Our method SolidGen, is an autoregressive neural network that models the B-rep directly by predicting the vertices, edges, and faces using Transformer-based and pointer neural networks. Key to achieving this is our Indexed Boundary Representation that references B-rep vertices, edges and faces in a well-defined hierarchy to capture the geometric and topological relations suitable for use with machine learning. SolidGen can be easily conditioned on contexts e.g., class labels, images, and voxels thanks to its probabilistic modeling of the B-rep distribution. We demonstrate qualitatively, quantitatively, and through perceptual evaluation by human subjects that SolidGen can produce high quality, realistic CAD models.

Equation discovery from data is a core challenge in machine learning for science, requiring the recovery of concise symbolic expressions that govern complex physical and geometric phenomena. Recent approaches with large language models (LLMs) show promise in symbolic regression, but their success often hinges on memorized formulas or overly simplified functional forms. Existing benchmarks exacerbate this limitation: they focus on scalar functions, ignore domain grounding, and rely on brittle string-matching based metrics that fail to capture scientific equivalence. We introduce SurfaceBench, first comprehensive benchmark for symbolic surface discovery. SurfaceBench comprises 183 tasks across 15 categories of symbolic complexity, spanning explicit, implicit, and parametric equation representation forms. Each task includes ground-truth equations, variable semantics, and synthetically sampled three dimensional data. Unlike prior SR datasets, our tasks reflect surface-level structure, resist LLM memorization through novel symbolic compositions, and are grounded in scientific domains such as fluid dynamics, robotics, electromagnetics, and geometry. To evaluate equation discovery quality, we pair symbolic checks with geometry-aware metrics such as Chamfer and Hausdorff distances, capturing both algebraic fidelity and spatial reconstruction accuracy. Our experiments reveal that state-of-the-art frameworks, while occasionally successful on specific families, struggle to generalize across representation types and surface complexities. SurfaceBench thus establishes a challenging and diagnostic testbed that bridges symbolic reasoning with geometric reconstruction, enabling principled benchmarking of progress in compositional generalization, data-driven scientific induction, and geometry-aware reasoning with LLMs. We release the code here: https://github.com/Sanchit-404/surfacebench

The boundary representation (B-Rep) is the standard data structure used in Computer-Aided Design (CAD) for defining solid models. Despite recent progress, directly generating B-Reps end-to-end with precise geometry and watertight topology remains a challenge. This paper presents AutoBrep, a novel Transformer model that autoregressively generates B-Reps with high quality and validity. AutoBrep employs a unified tokenization scheme that encodes both geometric and topological characteristics of a B-Rep model as a sequence of discrete tokens. Geometric primitives (i.e., surfaces and curves) are encoded as latent geometry tokens, and their structural relationships are defined as special topological reference tokens. Sequence order in AutoBrep naturally follows a breadth first traversal of the B-Rep face adjacency graph. At inference time, neighboring faces and edges along with their topological structure are progressively generated. Extensive experiments demonstrate the advantages of our unified representation when coupled with next-token prediction for B-Rep generation. AutoBrep outperforms baselines with better quality and watertightness. It is also highly scalable to complex solids with good fidelity and inference speed. We further show that autocompleting B-Reps is natively supported through our unified tokenization, enabling user-controllable CAD generation with minimal changes. Code is available at https://github.com/AutodeskAILab/AutoBrep.

Domain Adaptation (DA) facilitates knowledge transfer from a source domain to a related target domain. This paper investigates a practical DA paradigm, namely Source data-Free Active Domain Adaptation (SFADA), where source data becomes inaccessible during adaptation, and a minimum amount of annotation budget is available in the target domain. Without referencing the source data, new challenges emerge in identifying the most informative target samples for labeling, establishing cross-domain alignment during adaptation, and ensuring continuous performance improvements through the iterative query-and-adaptation process. In response, we present learn from the learnt (LFTL), a novel paradigm for SFADA to leverage the learnt knowledge from the source pretrained model and actively iterated models without extra overhead. We propose Contrastive Active Sampling to learn from the hypotheses of the preceding model, thereby querying target samples that are both informative to the current model and persistently challenging throughout active learning. During adaptation, we learn from features of actively selected anchors obtained from previous intermediate models, so that the Visual Persistence-guided Adaptation can facilitate feature distribution alignment and active sample exploitation. Extensive experiments on three widely-used benchmarks show that our LFTL achieves state-of-the-art performance, superior computational efficiency and continuous improvements as the annotation budget increases. Our code is available at https://github.com/lyumengyao/lftl.

We introduce SldprtNet, a large-scale dataset comprising over 242,000 industrial parts, designed for semantic-driven CAD modeling, geometric deep learning, and the training and fine-tuning of multimodal models for 3D design. The dataset provides 3D models in both .step and .sldprt formats to support diverse training and testing. To enable parametric modeling and facilitate dataset scalability, we developed supporting tools, an encoder and a decoder, which support 13 types of CAD commands and enable lossless transformation between 3D models and a structured text representation. Additionally, each sample is paired with a composite image created by merging seven rendered views from different viewpoints of the 3D model, effectively reducing input token length and accelerating inference. By combining this image with the parameterized text output from the encoder, we employ the lightweight multimodal language model Qwen2.5-VL-7B to generate a natural language description of each part's appearance and functionality. To ensure accuracy, we manually verified and aligned the generated descriptions, rendered images, and 3D models. These descriptions, along with the parameterized modeling scripts, rendered images, and 3D model files, are fully aligned to construct SldprtNet. To assess its effectiveness, we fine-tuned baseline models on a dataset subset, comparing image-plus-text inputs with text-only inputs. Results confirm the necessity and value of multimodal datasets for CAD generation. It features carefully selected real-world industrial parts, supporting tools for scalable dataset expansion, diverse modalities, and ensured diversity in model complexity and geometric features, making it a comprehensive multimodal dataset built for semantic-driven CAD modeling and cross-modal learning.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

Time series classification (TSC) on multivariate time series is a critical problem. We propose a novel multi-view approach integrating frequency-domain and time-domain features to provide complementary contexts for TSC. Our method fuses continuous wavelet transform spectral features with temporal convolutional or multilayer perceptron features. We leverage the Mamba state space model for efficient and scalable sequence modeling. We also introduce a novel tango scanning scheme to better model sequence relationships. Experiments on 10 standard benchmark datasets demonstrate our approach achieves an average 6.45% accuracy improvement over state-of-the-art TSC models.

Generating editable 3D CAD models from natural language remains challenging, as existing text-to-CAD systems either produce meshes or rely on scarce design-history data. We present NURBGen, the first framework to generate high-fidelity 3D CAD models directly from text using Non-Uniform Rational B-Splines (NURBS). To achieve this, we fine-tune a large language model (LLM) to translate free-form texts into JSON representations containing NURBS surface parameters (i.e, control points, knot vectors, degrees, and rational weights) which can be directly converted into BRep format using Python. We further propose a hybrid representation that combines untrimmed NURBS with analytic primitives to handle trimmed surfaces and degenerate regions more robustly, while reducing token complexity. Additionally, we introduce partABC, a curated subset of the ABC dataset consisting of individual CAD components, annotated with detailed captions using an automated annotation pipeline. NURBGen demonstrates strong performance on diverse prompts, surpassing prior methods in geometric fidelity and dimensional accuracy, as confirmed by expert evaluations. Code and dataset will be released publicly.

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Although pre-trained language models have exhibited great flexibility and versatility with prompt-based few-shot learning, they suffer from the extensive parameter size and limited applicability for inference. Recent studies have suggested that PLMs be used as dataset generators and a tiny task-specific model be trained to achieve efficient inference. However, their applicability to various domains is limited because they tend to generate domain-specific datasets. In this work, we propose a novel approach to universal domain generalization that generates a dataset regardless of the target domain. This allows for generalization of the tiny task model to any domain that shares the label space, thus enhancing the real-world applicability of the dataset generation paradigm. Our experiments indicate that the proposed method accomplishes generalizability across various domains while using a parameter set that is orders of magnitude smaller than PLMs.

Time series domain adaptation stands as a pivotal and intricate challenge with diverse applications, including but not limited to human activity recognition, sleep stage classification, and machine fault diagnosis. Despite the numerous domain adaptation techniques proposed to tackle this complex problem, they primarily focus on domain adaptation from a single source domain. Yet, it is more crucial to investigate domain adaptation from multiple domains due to the potential for greater improvements. To address this, three important challenges need to be overcome: 1). The lack of exploration to utilize domain-specific information for domain adaptation, 2). The difficulty to learn domain-specific information that changes over time, and 3). The difficulty to evaluate learned domain-specific information. In order to tackle these challenges simultaneously, in this paper, we introduce PrOmpt-based domaiN Discrimination (POND), the first framework to utilize prompts for time series domain adaptation. Specifically, to address Challenge 1, we extend the idea of prompt tuning to time series analysis and learn prompts to capture common and domain-specific information from all source domains. To handle Challenge 2, we introduce a conditional module for each source domain to generate prompts from time series input data. For Challenge 3, we propose two criteria to select good prompts, which are used to choose the most suitable source domain for domain adaptation. The efficacy and robustness of our proposed POND model are extensively validated through experiments across 50 scenarios encompassing four datasets. Experimental results demonstrate that our proposed POND model outperforms all state-of-the-art comparison methods by up to 66% on the F1-score.

The practical utility of machine learning models in the sciences often hinges on their interpretability. It is common to assess a model's merit for scientific discovery, and thus novel insights, by how well it aligns with already available domain knowledge--a dimension that is currently largely disregarded in the comparison of neural network models. While pruning can simplify deep neural network architectures and excels in identifying sparse models, as we show in the context of gene regulatory network inference, state-of-the-art techniques struggle with biologically meaningful structure learning. To address this issue, we propose DASH, a generalizable framework that guides network pruning by using domain-specific structural information in model fitting and leads to sparser, better interpretable models that are more robust to noise. Using both synthetic data with ground truth information, as well as real-world gene expression data, we show that DASH, using knowledge about gene interaction partners within the putative regulatory network, outperforms general pruning methods by a large margin and yields deeper insights into the biological systems being studied.

This paper aims to design a unified Computer-Aided Design (CAD) generation system that can easily generate CAD models based on the user's inputs in the form of textual description, images, point clouds, or even a combination of them. Towards this goal, we introduce the CAD-MLLM, the first system capable of generating parametric CAD models conditioned on the multimodal input. Specifically, within the CAD-MLLM framework, we leverage the command sequences of CAD models and then employ advanced large language models (LLMs) to align the feature space across these diverse multi-modalities data and CAD models' vectorized representations. To facilitate the model training, we design a comprehensive data construction and annotation pipeline that equips each CAD model with corresponding multimodal data. Our resulting dataset, named Omni-CAD, is the first multimodal CAD dataset that contains textual description, multi-view images, points, and command sequence for each CAD model. It contains approximately 450K instances and their CAD construction sequences. To thoroughly evaluate the quality of our generated CAD models, we go beyond current evaluation metrics that focus on reconstruction quality by introducing additional metrics that assess topology quality and surface enclosure extent. Extensive experimental results demonstrate that CAD-MLLM significantly outperforms existing conditional generative methods and remains highly robust to noises and missing points. The project page and more visualizations can be found at: https://cad-mllm.github.io/

Domain-specific embedding models have shown promise for applications that require specialized semantic understanding, such as coding agents and financial retrieval systems, often achieving higher performance gains than general models. However, state-of-the-art embedding models are typically based on LLMs, which contain billions of parameters, making deployment challenging in resource-constrained environments. Model compression through pruning offers a promising solution, but existing pruning methods treat all parameters uniformly, failing to distinguish between general semantic representations and domain-specific patterns, leading to suboptimal pruning decisions. Thus, we propose GAPrune, a pruning framework that addresses this challenge by considering both domain importance and preserving general linguistic foundation. Our method uses Fisher Information to measure importance and general-domain gradient alignment to assess parameter behavior, then combines these signals using our Domain Alignment Importance (DAI) scoring. Lower DAI scores indicate that the parameter is either less important for the domain task or creates conflicts between domain and general objectives. Experiments on two domain benchmarks, FinMTEB and ChemTEB, show that GAPrune maintains performance within 2.5% of dense models in one-shot pruning at 50% sparsity, while outperforming all baselines. With retraining in 100 steps, GAPrune achieves +4.51% improvement on FinMTEB and +1.73% on ChemTEB, demonstrating that our pruning strategy not only preserves but enhances domain-specific capabilities. Our findings demonstrate that principled pruning strategies can achieve model compression and enhanced domain specialization, providing the research community with a new approach for development.

Dynamic shape computations have become critical in modern machine learning workloads, especially in emerging large language models. The success of these models has driven demand for deploying them to a diverse set of backend environments. In this paper, we present Relax, a compiler abstraction for optimizing end-to-end dynamic machine learning workloads. Relax introduces first-class symbolic shape annotations to track dynamic shape computations globally across the program. It also introduces a cross-level abstraction that encapsulates computational graphs, loop-level tensor programs, and library calls in a single representation to enable cross-level optimizations. We build an end-to-end compilation framework using the proposed approach to optimize dynamic shape models. Experimental results on large language models show that Relax delivers performance competitive with state-of-the-art hand-optimized systems across platforms and enables deployment of emerging dynamic models to a broader set of environments, including mobile phones, embedded devices, and web browsers.

The automation of code review activities, a long-standing pursuit in software engineering, has been primarily addressed by numerous domain-specific pre-trained models. Despite their success, these models frequently demand extensive resources for pre-training from scratch. In contrast, Large Language Models (LLMs) provide an intriguing alternative, given their remarkable capabilities when supplemented with domain-specific knowledge. However, their potential for automating code review tasks remains largely unexplored. In response to this research gap, we present LLaMA-Reviewer, an innovative framework that leverages the capabilities of LLaMA, a popular LLM, in the realm of code review. Mindful of resource constraints, this framework employs parameter-efficient fine-tuning (PEFT) methods, delivering high performance while using less than 1% of trainable parameters. An extensive evaluation of LLaMA-Reviewer is conducted on two diverse, publicly available datasets. Notably, even with the smallest LLaMA base model consisting of 6.7B parameters and a limited number of tuning epochs, LLaMA-Reviewer equals the performance of existing code-review-focused models. The ablation experiments provide insights into the influence of various fine-tuning process components, including input representation, instruction tuning, and different PEFT methods. To foster continuous progress in this field, the code and all PEFT-weight plugins have been made open-source.

In this study, we propose Feature-aligned N-BEATS as a domain generalization model for univariate time series forecasting problems. The proposed model is an extension of the doubly residual stacking architecture of N-BEATS (Oreshkin et al. [34]) into a representation learning framework. The model is a new structure that involves marginal feature probability measures (i.e., pushforward measures of multiple source domains) induced by the intricate composition of residual operators of N-BEATS in each stack and aligns them stack-wise via an entropic regularized Wasserstein distance referred to as the Sinkhorn divergence (Genevay et al. [14]). The loss function consists of a typical forecasting loss for multiple source domains and an alignment loss calculated with the Sinkhorn divergence, which allows the model to learn invariant features stack-wise across multiple source data sequences while retaining N-BEATS's interpretable design. We conduct a comprehensive experimental evaluation of the proposed approach and the results demonstrate the model's forecasting and generalization capabilities in comparison with methods based on the original N-BEATS.

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

Semi-structured tables are ubiquitous. There has been a variety of tasks that aim to automatically interpret, augment, and query tables. Current methods often require pretraining on tables or special model architecture design, are restricted to specific table types, or have simplifying assumptions about tables and tasks. This paper makes the first step towards developing open-source large language models (LLMs) as generalists for a diversity of table-based tasks. Towards that end, we construct TableInstruct, a new dataset with a variety of realistic tables and tasks, for instruction tuning and evaluating LLMs. We further develop the first open-source generalist model for tables, TableLlama, by fine-tuning Llama 2 (7B) with LongLoRA to address the long context challenge. We experiment under both in-domain setting and out-of-domain setting. On 7 out of 8 in-domain tasks, TableLlama achieves comparable or better performance than the SOTA for each task, despite the latter often has task-specific design. On 6 out-of-domain datasets, it achieves 6-48 absolute point gains compared with the base model, showing that training on TableInstruct enhances the model's generalizability. We will open-source our dataset and trained model to boost future work on developing open generalist models for tables.

High-dimensional datasets require effective feature selection to improve predictive performance, interpretability, and robustness. We propose and evaluate feature selection methods for tabular datasets based on Kolmogorov-Arnold networks (KANs), which parameterize feature transformations through splines, enabling direct access to interpretable importance measures. We introduce four KAN-based selectors (KAN-L1, KAN-L2, KAN-SI, KAN-KO) and compare them against classical baselines (LASSO, Random Forest, Mutual Information, SVM-RFE) across multiple classification and regression tabular dataset benchmarks. Average (over three retention levels: 20\%, 40\%, and 60\%) F1 scores and R^2 score results reveal that KAN-based selectors, particularly KAN-L2, KAN-L1, KAN-SI, and KAN-KO, are competitive with and sometimes superior to classical baselines in structured and synthetic datasets. However, KAN-L1 is often too aggressive in regression, removing useful features, while KAN-L2 underperforms in classification, where simple coefficient shrinkage misses complex feature interactions. KAN-L2 and KAN-SI provide robust performance on noisy regression datasets and heterogeneous datasets, aligning closely with ensemble predictors. In classification tasks, KAN selectors such as KAN-L1, KAN-KO, and KAN-SI sometimes surpass the other selectors by eliminating redundancy, particularly in high-dimensional multi-class data. Overall, our findings demonstrate that KAN-based feature selection provides a powerful and interpretable alternative to traditional methods, capable of uncovering nonlinear and multivariate feature relevance beyond sparsity or impurity-based measures.

Recent advancements in Large Multimodal Models (LMMs) have attracted interest in their generalization capability with only a few samples in the prompt. This progress is particularly relevant to the medical domain, where the quality and sensitivity of data pose unique challenges for model training and application. However, the dependency on high-quality data for effective in-context learning raises questions about the feasibility of these models when encountering with the inevitable variations and errors inherent in real-world medical data. In this paper, we introduce MID-M, a novel framework that leverages the in-context learning capabilities of a general-domain Large Language Model (LLM) to process multimodal data via image descriptions. MID-M achieves a comparable or superior performance to task-specific fine-tuned LMMs and other general-domain ones, without the extensive domain-specific training or pre-training on multimodal data, with significantly fewer parameters. This highlights the potential of leveraging general-domain LLMs for domain-specific tasks and offers a sustainable and cost-effective alternative to traditional LMM developments. Moreover, the robustness of MID-M against data quality issues demonstrates its practical utility in real-world medical domain applications.

Software specifications are essential for ensuring the reliability of software systems. Existing specification extraction approaches, however, suffer from limited generalizability and require manual efforts. The recent emergence of Large Language Models (LLMs), which have been successfully applied to numerous software engineering tasks, offers a promising avenue for automating this process. In this paper, we conduct the first empirical study to evaluate the capabilities of LLMs for generating software specifications from software comments or documentation. We evaluate LLMs' performance with Few Shot Learning (FSL), enabling LLMs to generalize from a small number of examples, as well as different prompt construction strategies, and compare the performance of LLMs with traditional approaches. Additionally, we conduct a comparative diagnosis of the failure cases from both LLMs and traditional methods, identifying their unique strengths and weaknesses. Lastly, we conduct extensive experiments on 15 state of the art LLMs, evaluating their performance and cost effectiveness for generating software specifications. Our results show that with FSL, LLMs outperform traditional methods (by 5.6%), and more sophisticated prompt construction strategies can further enlarge this performance gap (up to 5.1 to 10.0%). Yet, LLMs suffer from their unique challenges, such as ineffective prompts and the lack of domain knowledge, which together account for 53 to 60% of LLM unique failures. The strong performance of open source models (e.g., StarCoder) makes closed source models (e.g., GPT 3 Davinci) less desirable due to size and cost. Our study offers valuable insights for future research to improve specification generation.

Many recent machine learning tasks focus to develop models that can generalize to unseen distributions. Domain generalization (DG) has become one of the key topics in various fields. Several literatures show that DG can be arbitrarily hard without exploiting target domain information. To address this issue, test-time adaptive (TTA) methods are proposed. Existing TTA methods require offline target data or extra sophisticated optimization procedures during the inference stage. In this work, we adopt Non-Parametric Classifier to perform the test-time Adaptation (AdaNPC). In particular, we construct a memory that contains the feature and label pairs from training domains. During inference, given a test instance, AdaNPC first recalls K closed samples from the memory to vote for the prediction, and then the test feature and predicted label are added to the memory. In this way, the sample distribution in the memory can be gradually changed from the training distribution towards the test distribution with very little extra computation cost. We theoretically justify the rationality behind the proposed method. Besides, we test our model on extensive numerical experiments. AdaNPC significantly outperforms competitive baselines on various DG benchmarks. In particular, when the adaptation target is a series of domains, the adaptation accuracy of AdaNPC is 50% higher than advanced TTA methods. The code is available at https://github.com/yfzhang114/AdaNPC.

Fine-grained and instance-level recognition methods are commonly trained and evaluated on specific domains, in a model per domain scenario. Such an approach, however, is impractical in real large-scale applications. In this work, we address the problem of universal image embedding, where a single universal model is trained and used in multiple domains. First, we leverage existing domain-specific datasets to carefully construct a new large-scale public benchmark for the evaluation of universal image embeddings, with 241k query images, 1.4M index images and 2.8M training images across 8 different domains and 349k classes. We define suitable metrics, training and evaluation protocols to foster future research in this area. Second, we provide a comprehensive experimental evaluation on the new dataset, demonstrating that existing approaches and simplistic extensions lead to worse performance than an assembly of models trained for each domain separately. Finally, we conducted a public research competition on this topic, leveraging industrial datasets, which attracted the participation of more than 1k teams worldwide. This exercise generated many interesting research ideas and findings which we present in detail. Project webpage: https://cmp.felk.cvut.cz/univ_emb/

We introduce methods for discovering and applying sparse feature circuits. These are causally implicated subnetworks of human-interpretable features for explaining language model behaviors. Circuits identified in prior work consist of polysemantic and difficult-to-interpret units like attention heads or neurons, rendering them unsuitable for many downstream applications. In contrast, sparse feature circuits enable detailed understanding of unanticipated mechanisms. Because they are based on fine-grained units, sparse feature circuits are useful for downstream tasks: We introduce SHIFT, where we improve the generalization of a classifier by ablating features that a human judges to be task-irrelevant. Finally, we demonstrate an entirely unsupervised and scalable interpretability pipeline by discovering thousands of sparse feature circuits for automatically discovered model behaviors.

Object appearances change dramatically with pose variations. This creates a challenge for embedding schemes that seek to map instances with the same object ID to locations that are as close as possible. This issue becomes significantly heightened in complex computer vision tasks such as re-identification(reID). In this paper, we suggest that these dramatic appearance changes are indications that an object ID is composed of multiple natural groups, and it is counterproductive to forcefully map instances from different groups to a common location. This leads us to introduce Relation Preserving Triplet Mining (RPTM), a feature-matching guided triplet mining scheme, that ensures that triplets will respect the natural subgroupings within an object ID. We use this triplet mining mechanism to establish a pose-aware, well-conditioned triplet loss by implicitly enforcing view consistency. This allows a single network to be trained with fixed parameters across datasets while providing state-of-the-art results. Code is available at https://github.com/adhirajghosh/RPTM_reid.

Diabetic Retinopathy (DR), induced by diabetes, poses a significant risk of visual impairment. Accurate and effective grading of DR aids in the treatment of this condition. Yet existing models experience notable performance degradation on unseen domains due to domain shifts. Previous methods address this issue by simulating domain style through simple visual transformation and mitigating domain noise via learning robust representations. However, domain shifts encompass more than image styles. They overlook biases caused by implicit factors such as ethnicity, age, and diagnostic criteria. In our work, we propose a novel framework where representations of paired data from different domains are decoupled into semantic features and domain noise. The resulting augmented representation comprises original retinal semantics and domain noise from other domains, aiming to generate enhanced representations aligned with real-world clinical needs, incorporating rich information from diverse domains. Subsequently, to improve the robustness of the decoupled representations, class and domain prototypes are employed to interpolate the disentangled representations while data-aware weights are designed to focus on rare classes and domains. Finally, we devise a robust pixel-level semantic alignment loss to align retinal semantics decoupled from features, maintaining a balance between intra-class diversity and dense class features. Experimental results on multiple benchmarks demonstrate the effectiveness of our method on unseen domains. The code implementations are accessible on https://github.com/richard-peng-xia/DECO.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

Tabular biomedical data poses challenges in machine learning because it is often high-dimensional and typically low-sample-size (HDLSS). Previous research has attempted to address these challenges via local feature selection, but existing approaches often fail to achieve optimal performance due to their limitation in identifying globally important features and their susceptibility to the co-adaptation problem. In this paper, we propose ProtoGate, a prototype-based neural model for feature selection on HDLSS data. ProtoGate first selects instance-wise features via adaptively balancing global and local feature selection. Furthermore, ProtoGate employs a non-parametric prototype-based prediction mechanism to tackle the co-adaptation problem, ensuring the feature selection results and predictions are consistent with underlying data clusters. We conduct comprehensive experiments to evaluate the performance and interpretability of ProtoGate on synthetic and real-world datasets. The results show that ProtoGate generally outperforms state-of-the-art methods in prediction accuracy by a clear margin while providing high-fidelity feature selection and explainable predictions. Code is available at https://github.com/SilenceX12138/ProtoGate.

State of the art Symbolic Regression (SR) methods currently build specialized models, while the application of Large Language Models (LLMs) remains largely unexplored. In this work, we introduce the first comprehensive framework that utilizes LLMs for the task of SR. We propose In-Context Symbolic Regression (ICSR), an SR method which iteratively refines a functional form with an LLM and determines its coefficients with an external optimizer. ICSR leverages LLMs' strong mathematical prior both to propose an initial set of possible functions given the observations and to refine them based on their errors. Our findings reveal that LLMs are able to successfully find symbolic equations that fit the given data, matching or outperforming the overall performance of the best SR baselines on four popular benchmarks, while yielding simpler equations with better out of distribution generalization.

In an era where accumulating data is easy and storing it inexpensive, feature selection plays a central role in helping to reduce the high-dimensionality of huge amounts of otherwise meaningless data. In this paper, we propose a graph-based method for feature selection that ranks features by identifying the most important ones into arbitrary set of cues. Mapping the problem on an affinity graph-where features are the nodes-the solution is given by assessing the importance of nodes through some indicators of centrality, in particular, the Eigen-vector Centrality (EC). The gist of EC is to estimate the importance of a feature as a function of the importance of its neighbors. Ranking central nodes individuates candidate features, which turn out to be effective from a classification point of view, as proved by a thoroughly experimental section. Our approach has been tested on 7 diverse datasets from recent literature (e.g., biological data and object recognition, among others), and compared against filter, embedded and wrappers methods. The results are remarkable in terms of accuracy, stability and low execution time.

We present Point2SSM, a novel unsupervised learning approach for constructing correspondence-based statistical shape models (SSMs) directly from raw point clouds. SSM is crucial in clinical research, enabling population-level analysis of morphological variation in bones and organs. Traditional methods of SSM construction have limitations, including the requirement of noise-free surface meshes or binary volumes, reliance on assumptions or templates, and prolonged inference times due to simultaneous optimization of the entire cohort. Point2SSM overcomes these barriers by providing a data-driven solution that infers SSMs directly from raw point clouds, reducing inference burdens and increasing applicability as point clouds are more easily acquired. While deep learning on 3D point clouds has seen success in unsupervised representation learning and shape correspondence, its application to anatomical SSM construction is largely unexplored. We conduct a benchmark of state-of-the-art point cloud deep networks on the SSM task, revealing their limited robustness to clinical challenges such as noisy, sparse, or incomplete input and limited training data. Point2SSM addresses these issues through an attention-based module, providing effective correspondence mappings from learned point features. Our results demonstrate that the proposed method significantly outperforms existing networks in terms of accurate surface sampling and correspondence, better capturing population-level statistics.

We introduce Point2Skeleton, an unsupervised method to learn skeletal representations from point clouds. Existing skeletonization methods are limited to tubular shapes and the stringent requirement of watertight input, while our method aims to produce more generalized skeletal representations for complex structures and handle point clouds. Our key idea is to use the insights of the medial axis transform (MAT) to capture the intrinsic geometric and topological natures of the original input points. We first predict a set of skeletal points by learning a geometric transformation, and then analyze the connectivity of the skeletal points to form skeletal mesh structures. Extensive evaluations and comparisons show our method has superior performance and robustness. The learned skeletal representation will benefit several unsupervised tasks for point clouds, such as surface reconstruction and segmentation.