Daily Papers

Large-scale text-to-speech (TTS) systems are limited by the scarcity of clean, multilingual recordings. We introduce Sidon, a fast, open-source speech restoration model that converts noisy in-the-wild speech into studio-quality speech and scales to dozens of languages. Sidon consists of two models: w2v-BERT 2.0 finetuned feature predictor to cleanse features from noisy speech and vocoder trained to synthesize restored speech from the cleansed features. Sidon achieves restoration performance comparable to Miipher: Google's internal speech restoration model with the aim of dataset cleansing for speech synthesis. Sidon is also computationally efficient, running up to 3,390 times faster than real time on a single GPU. We further show that training a TTS model using a Sidon-cleansed automatic speech recognition corpus improves the quality of synthetic speech in a zero-shot setting. Code and model are released to facilitate reproducible dataset cleansing for the research community.

Modern Text-to-Image (T2I) generation increasingly relies on token-centric architectures that are trained with self-supervision, yet effectively fusing text with visual tokens remains a challenge. We propose JEPA-T, a unified multimodal framework that encodes images and captions into discrete visual and textual tokens, processed by a joint-embedding predictive Transformer. To enhance fusion, we incorporate cross-attention after the feature predictor for conditional denoising while maintaining a task-agnostic backbone. Additionally, raw texts embeddings are injected prior to the flow matching loss to improve alignment during training. During inference, the same network performs both class-conditional and free-text image generation by iteratively denoising visual tokens conditioned on text. Evaluations on ImageNet-1K demonstrate that JEPA-T achieves strong data efficiency, open-vocabulary generalization, and consistently outperforms non-fusion and late-fusion baselines. Our approach shows that late architectural fusion combined with objective-level alignment offers an effective balance between conditioning strength and backbone generality in token-based T2I.The code is now available: https://github.com/justin-herry/JEPA-T.git

In this paper, we propose a dual-stage architecture for bandwidth extension (BWE) increasing the effective sampling rate of speech signals from 8 kHz to 48 kHz. Unlike existing end-to-end deep learning models, our proposed method explicitly models BWE using excitation and linear time-varying (LTV) filter stages. The excitation stage broadens the spectrum of the input, while the filtering stage properly shapes it based on outputs from an acoustic feature predictor. To this end, an acoustic feature loss term can implicitly promote the excitation subnetwork to produce white spectra in the upper frequency band to be synthesized. Experimental results demonstrate that the added inductive bias provided by our approach can improve upon BWE results using the generators from both SEANet or HiFi-GAN as exciters, and that our means of adapting processing with acoustic feature predictions is more effective than that used in HiFi-GAN-2. Secondary contributions include extensions of the SEANet model to accommodate local conditioning information, as well as the application of HiFi-GAN-2 for the BWE problem.

Facial beauty prediction (FBP) is a significant visual recognition problem to make assessment of facial attractiveness that is consistent to human perception. To tackle this problem, various data-driven models, especially state-of-the-art deep learning techniques, were introduced, and benchmark dataset become one of the essential elements to achieve FBP. Previous works have formulated the recognition of facial beauty as a specific supervised learning problem of classification, regression or ranking, which indicates that FBP is intrinsically a computation problem with multiple paradigms. However, most of FBP benchmark datasets were built under specific computation constrains, which limits the performance and flexibility of the computational model trained on the dataset. In this paper, we argue that FBP is a multi-paradigm computation problem, and propose a new diverse benchmark dataset, called SCUT-FBP5500, to achieve multi-paradigm facial beauty prediction. The SCUT-FBP5500 dataset has totally 5500 frontal faces with diverse properties (male/female, Asian/Caucasian, ages) and diverse labels (face landmarks, beauty scores within [1,~5], beauty score distribution), which allows different computational models with different FBP paradigms, such as appearance-based/shape-based facial beauty classification/regression model for male/female of Asian/Caucasian. We evaluated the SCUT-FBP5500 dataset for FBP using different combinations of feature and predictor, and various deep learning methods. The results indicates the improvement of FBP and the potential applications based on the SCUT-FBP5500.

In this paper, we explore a new domain for video-to-video translation. Motivated by the availability of animation movies that are adopted from illustrated books for children, we aim to stylize these videos with the style of the original illustrations. Current state-of-the-art video-to-video translation models rely on having a video sequence or a single style image to stylize an input video. We introduce a new problem for video stylizing where an unordered set of images are used. This is a challenging task for two reasons: i) we do not have the advantage of temporal consistency as in video sequences; ii) it is more difficult to obtain consistent styles for video frames from a set of unordered images compared to using a single image. Most of the video-to-video translation methods are built on an image-to-image translation model, and integrate additional networks such as optical flow, or temporal predictors to capture temporal relations. These additional networks make the model training and inference complicated and slow down the process. To ensure temporal coherency in video-to-video style transfer, we propose a new generator network with feature warping layers which overcomes the limitations of the previous methods. We show the effectiveness of our method on three datasets both qualitatively and quantitatively. Code and pretrained models are available at https://github.com/giddyyupp/wait.

In 3D human action recognition, limited supervised data makes it challenging to fully tap into the modeling potential of powerful networks such as transformers. As a result, researchers have been actively investigating effective self-supervised pre-training strategies. In this work, we show that instead of following the prevalent pretext task to perform masked self-component reconstruction in human joints, explicit contextual motion modeling is key to the success of learning effective feature representation for 3D action recognition. Formally, we propose the Masked Motion Prediction (MAMP) framework. To be specific, the proposed MAMP takes as input the masked spatio-temporal skeleton sequence and predicts the corresponding temporal motion of the masked human joints. Considering the high temporal redundancy of the skeleton sequence, in our MAMP, the motion information also acts as an empirical semantic richness prior that guide the masking process, promoting better attention to semantically rich temporal regions. Extensive experiments on NTU-60, NTU-120, and PKU-MMD datasets show that the proposed MAMP pre-training substantially improves the performance of the adopted vanilla transformer, achieving state-of-the-art results without bells and whistles. The source code of our MAMP is available at https://github.com/maoyunyao/MAMP.

As deep vision models' popularity rapidly increases, there is a growing emphasis on explanations for model predictions. The inherently explainable attribution method aims to enhance the understanding of model behavior by identifying the important regions in images that significantly contribute to predictions. It is achieved by cooperatively training a selector (generating an attribution map to identify important features) and a predictor (making predictions using the identified features). Despite many advancements, existing methods suffer from the incompleteness problem, where discriminative features are masked out, and the interlocking problem, where the non-optimized selector initially selects noise, causing the predictor to fit on this noise and perpetuate the cycle. To address these problems, we introduce a new objective that discourages the presence of discriminative features in the masked-out regions thus enhancing the comprehensiveness of feature selection. A pre-trained detector is introduced to detect discriminative features in the masked-out region. If the selector selects noise instead of discriminative features, the detector can observe and break the interlocking situation by penalizing the selector. Extensive experiments show that our model makes accurate predictions with higher accuracy than the regular black-box model, and produces attribution maps with high feature coverage, localization ability, fidelity and robustness. Our code will be available at https://github.com/Zood123/COMET{https://github.com/Zood123/COMET}.

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.

Deep learning models have achieved impressive prediction performance but often sacrifice interpretability, a critical consideration in high-stakes domains such as healthcare or policymaking. In contrast, generalized additive models (GAMs) can maintain interpretability but often suffer from poor prediction performance due to their inability to effectively capture feature interactions. In this work, we aim to bridge this gap by using pre-trained neural language models to extract embeddings for each input before learning a linear model in the embedding space. The final model (which we call Emb-GAM) is a transparent, linear function of its input features and feature interactions. Leveraging the language model allows Emb-GAM to learn far fewer linear coefficients, model larger interactions, and generalize well to novel inputs (e.g. unseen ngrams in text). Across a variety of natural-language-processing datasets, Emb-GAM achieves strong prediction performance without sacrificing interpretability. All code is made available on Github.

Objective: To improve prediction of Chronic Kidney Disease (CKD) progression to End Stage Renal Disease (ESRD) using machine learning (ML) and deep learning (DL) models applied to an integrated clinical and claims dataset of varying observation windows, supported by explainable AI (XAI) to enhance interpretability and reduce bias. Materials and Methods: We utilized data about 10,326 CKD patients, combining their clinical and claims information from 2009 to 2018. Following data preprocessing, cohort identification, and feature engineering, we evaluated multiple statistical, ML and DL models using data extracted from five distinct observation windows. Feature importance and Shapley value analysis were employed to understand key predictors. Models were tested for robustness, clinical relevance, misclassification errors and bias issues. Results: Integrated data models outperformed those using single data sources, with the Long Short-Term Memory (LSTM) model achieving the highest AUC (0.93) and F1 score (0.65). A 24-month observation window was identified as optimal for balancing early detection and prediction accuracy. The 2021 eGFR equation improved prediction accuracy and reduced racial bias, notably for African American patients. Discussion: Improved ESRD prediction accuracy, results interpretability and bias mitigation strategies presented in this study have the potential to significantly enhance CKD and ESRD management, support targeted early interventions and reduce healthcare disparities. Conclusion: This study presents a robust framework for predicting ESRD outcomes in CKD patients, improving clinical decision-making and patient care through multi-sourced, integrated data and AI/ML methods. Future research will expand data integration and explore the application of this framework to other chronic diseases.

This study presents a deep tabular learning framework for predicting crash severity in electric vehicle (EV) collisions using real-world crash data from Texas (2017-2023). After filtering for electric-only vehicles, 23,301 EV-involved crash records were analyzed. Feature importance techniques using XGBoost and Random Forest identified intersection relation, first harmful event, person age, crash speed limit, and day of week as the top predictors, along with advanced safety features like automatic emergency braking. To address class imbalance, Synthetic Minority Over-sampling Technique and Edited Nearest Neighbors (SMOTEENN) resampling was applied. Three state-of-the-art deep tabular models, TabPFN, MambaNet, and MambaAttention, were benchmarked for severity prediction. While TabPFN demonstrated strong generalization, MambaAttention achieved superior performance in classifying severe injury cases due to its attention-based feature reweighting. The findings highlight the potential of deep tabular architectures for improving crash severity prediction and enabling data-driven safety interventions in EV crash contexts.

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.

There is evidence that the driving style of an autonomous vehicle is important to increase the acceptance and trust of the passengers. The driving situation has been found to have a significant influence on human driving behavior. However, current driving style models only partially incorporate driving environment information, limiting the alignment between an agent and the given situation. Therefore, we propose a situation-aware driving style model based on different visual feature encoders pretrained on fleet data, as well as driving behavior predictors, which are adapted to the driving style of a specific driver. Our experiments show that the proposed method outperforms static driving styles significantly and forms plausible situation clusters. Furthermore, we found that feature encoders pretrained on our dataset lead to more precise driving behavior modeling. In contrast, feature encoders pretrained supervised and unsupervised on different data sources lead to more specific situation clusters, which can be utilized to constrain and control the driving style adaptation for specific situations. Moreover, in a real-world setting, where driving style adaptation is happening iteratively, we found the MLP-based behavior predictors achieve good performance initially but suffer from catastrophic forgetting. In contrast, behavior predictors based on situationdependent statistics can learn iteratively from continuous data streams by design. Overall, our experiments show that important information for driving behavior prediction is contained within the visual feature encoder. The dataset is publicly available at huggingface.co/datasets/jHaselberger/SADC-Situation-Awareness-for-Driver-Centric-Driving-Style-Adaptation.

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

Audio-Visual Speech Recognition (AVSR) achieves robust speech recognition in noisy environments by combining auditory and visual information. However, recent Large Language Model (LLM) based AVSR systems incur high computational costs due to the high temporal resolution of audio-visual speech processed by LLMs. In this work, we introduce an efficient multimodal speech LLM framework that minimizes token length while preserving essential linguistic content. Our approach employs an early av-fusion module for streamlined feature integration, an audio-visual speech Q-Former that dynamically allocates tokens based on input duration, and a refined query allocation strategy with a speech rate predictor to adjust token allocation according to speaking speed of each audio sample. Extensive experiments on the LRS3 dataset show that our method achieves state-of-the-art performance with a WER of 0.74% while using only 3.5 tokens per second. Moreover, our approach not only reduces token usage by 86% compared to the previous multimodal speech LLM framework, but also improves computational efficiency by reducing FLOPs by 35.7%.

The future instance prediction from a Bird's Eye View(BEV) perspective is a vital component in autonomous driving, which involves future instance segmentation and instance motion prediction. Existing methods usually rely on a redundant and complex pipeline which requires multiple auxiliary outputs and post-processing procedures. Moreover, estimated errors on each of the auxiliary predictions will lead to degradation of the prediction performance. In this paper, we propose a simple yet effective fully end-to-end framework named Future Instance Prediction Transformer(FipTR), which views the task as BEV instance segmentation and prediction for future frames. We propose to adopt instance queries representing specific traffic participants to directly estimate the corresponding future occupied masks, and thus get rid of complex post-processing procedures. Besides, we devise a flow-aware BEV predictor for future BEV feature prediction composed of a flow-aware deformable attention that takes backward flow guiding the offset sampling. A novel future instance matching strategy is also proposed to further improve the temporal coherence. Extensive experiments demonstrate the superiority of FipTR and its effectiveness under different temporal BEV encoders. The code is available at https://github.com/TabGuigui/FipTR .

Segmenting 3D assets into their constituent parts is crucial for enhancing 3D understanding, facilitating model reuse, and supporting various applications such as part generation. However, current methods face limitations such as poor robustness when dealing with complex objects and cannot fully automate the process. In this paper, we propose a native 3D point-promptable part segmentation model termed P3-SAM, designed to fully automate the segmentation of any 3D objects into components. Inspired by SAM, P3-SAM consists of a feature extractor, multiple segmentation heads, and an IoU predictor, enabling interactive segmentation for users. We also propose an algorithm to automatically select and merge masks predicted by our model for part instance segmentation. Our model is trained on a newly built dataset containing nearly 3.7 million models with reasonable segmentation labels. Comparisons show that our method achieves precise segmentation results and strong robustness on any complex objects, attaining state-of-the-art performance. Our code will be released soon.

Contrastive Learning (CL) has attracted enormous attention due to its remarkable capability in unsupervised representation learning. However, recent works have revealed the vulnerability of CL to backdoor attacks: the feature extractor could be misled to embed backdoored data close to an attack target class, thus fooling the downstream predictor to misclassify it as the target. Existing attacks usually adopt a fixed trigger pattern and poison the training set with trigger-injected data, hoping for the feature extractor to learn the association between trigger and target class. However, we find that such fixed trigger design fails to effectively associate trigger-injected data with target class in the embedding space due to special CL mechanisms, leading to a limited attack success rate (ASR). This phenomenon motivates us to find a better backdoor trigger design tailored for CL framework. In this paper, we propose a bi-level optimization approach to achieve this goal, where the inner optimization simulates the CL dynamics of a surrogate victim, and the outer optimization enforces the backdoor trigger to stay close to the target throughout the surrogate CL procedure. Extensive experiments show that our attack can achieve a higher attack success rate (e.g., 99% ASR on ImageNet-100) with a very low poisoning rate (1%). Besides, our attack can effectively evade existing state-of-the-art defenses. Code is available at: https://github.com/SWY666/SSL-backdoor-BLTO.

This paper presents a novel Region-Aware Face Swapping (RAFSwap) network to achieve identity-consistent harmonious high-resolution face generation in a local-global manner: 1) Local Facial Region-Aware (FRA) branch augments local identity-relevant features by introducing the Transformer to effectively model misaligned cross-scale semantic interaction. 2) Global Source Feature-Adaptive (SFA) branch further complements global identity-relevant cues for generating identity-consistent swapped faces. Besides, we propose a Face Mask Predictor (FMP) module incorporated with StyleGAN2 to predict identity-relevant soft facial masks in an unsupervised manner that is more practical for generating harmonious high-resolution faces. Abundant experiments qualitatively and quantitatively demonstrate the superiority of our method for generating more identity-consistent high-resolution swapped faces over SOTA methods, \eg, obtaining 96.70 ID retrieval that outperforms SOTA MegaFS by 5.87uparrow.

This work addresses cross-view camera pose estimation, i.e., determining the 3-Degrees-of-Freedom camera pose of a given ground-level image w.r.t. an aerial image of the local area. We propose SliceMatch, which consists of ground and aerial feature extractors, feature aggregators, and a pose predictor. The feature extractors extract dense features from the ground and aerial images. Given a set of candidate camera poses, the feature aggregators construct a single ground descriptor and a set of pose-dependent aerial descriptors. Notably, our novel aerial feature aggregator has a cross-view attention module for ground-view guided aerial feature selection and utilizes the geometric projection of the ground camera's viewing frustum on the aerial image to pool features. The efficient construction of aerial descriptors is achieved using precomputed masks. SliceMatch is trained using contrastive learning and pose estimation is formulated as a similarity comparison between the ground descriptor and the aerial descriptors. Compared to the state-of-the-art, SliceMatch achieves a 19% lower median localization error on the VIGOR benchmark using the same VGG16 backbone at 150 frames per second, and a 50% lower error when using a ResNet50 backbone.

Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced algorithms such as LARS and LAMB succeed in classification models, the complicated pipelines of dense visual predictions such as object detection and segmentation still suffer from the heavy performance drop in the large-batch training regime. To address this challenge, we propose a simple yet effective algorithm, named Adaptive Gradient Variance Modulator (AGVM), which can train dense visual predictors with very large batch size, enabling several benefits more appealing than prior arts. Firstly, AGVM can align the gradient variances between different modules in the dense visual predictors, such as backbone, feature pyramid network (FPN), detection, and segmentation heads. We show that training with a large batch size can fail with the gradient variances misaligned among them, which is a phenomenon primarily overlooked in previous work. Secondly, AGVM is a plug-and-play module that generalizes well to many different architectures (e.g., CNNs and Transformers) and different tasks (e.g., object detection, instance segmentation, semantic segmentation, and panoptic segmentation). It is also compatible with different optimizers (e.g., SGD and AdamW). Thirdly, a theoretical analysis of AGVM is provided. Extensive experiments on the COCO and ADE20K datasets demonstrate the superiority of AGVM. For example, it can train Faster R-CNN+ResNet50 in 4 minutes without losing performance. AGVM enables training an object detector with one billion parameters in just 3.5 hours, reducing the training time by 20.9x, whilst achieving 62.2 mAP on COCO. The deliverables are released at https://github.com/Sense-X/AGVM.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

Large language models (LLMs) like ChatGPT, exhibit powerful zero-shot and instruction-following capabilities, have catalyzed a revolutionary transformation across diverse fields, especially for open-ended tasks. While the idea is less explored in the graph domain, despite the availability of numerous powerful graph models (GMs), they are restricted to tasks in a pre-defined form. Although several methods applying LLMs to graphs have been proposed, they fail to simultaneously handle the pre-defined and open-ended tasks, with LLM as a node feature enhancer or as a standalone predictor. To break this dilemma, we propose to bridge the pretrained GM and LLM by a Translator, named GraphTranslator, aiming to leverage GM to handle the pre-defined tasks effectively and utilize the extended interface of LLMs to offer various open-ended tasks for GM. To train such Translator, we propose a Producer capable of constructing the graph-text alignment data along node information, neighbor information and model information. By translating node representation into tokens, GraphTranslator empowers an LLM to make predictions based on language instructions, providing a unified perspective for both pre-defined and open-ended tasks. Extensive results demonstrate the effectiveness of our proposed GraphTranslator on zero-shot node classification. The graph question answering experiments reveal our GraphTranslator potential across a broad spectrum of open-ended tasks through language instructions. Our code is available at: https://github.com/alibaba/GraphTranslator.

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.

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

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.

Evaluating neural network performance is critical to deep neural network design but a costly procedure. Neural predictors provide an efficient solution by treating architectures as samples and learning to estimate their performance on a given task. However, existing predictors are task-dependent, predominantly estimating neural network performance on image classification benchmarks. They are also search-space dependent; each predictor is designed to make predictions for a specific architecture search space with predefined topologies and set of operations. In this paper, we propose a novel All-in-One Predictor (AIO-P), which aims to pretrain neural predictors on architecture examples from multiple, separate computer vision (CV) task domains and multiple architecture spaces, and then transfer to unseen downstream CV tasks or neural architectures. We describe our proposed techniques for general graph representation, efficient predictor pretraining and knowledge infusion techniques, as well as methods to transfer to downstream tasks/spaces. Extensive experimental results show that AIO-P can achieve Mean Absolute Error (MAE) and Spearman's Rank Correlation (SRCC) below 1% and above 0.5, respectively, on a breadth of target downstream CV tasks with or without fine-tuning, outperforming a number of baselines. Moreover, AIO-P can directly transfer to new architectures not seen during training, accurately rank them and serve as an effective performance estimator when paired with an algorithm designed to preserve performance while reducing FLOPs.

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.

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

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.

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

With the success of pretraining techniques in representation learning, a number of continual learning methods based on pretrained models have been proposed. Some of these methods design continual learning mechanisms on the pre-trained representations and only allow minimum updates or even no updates of the backbone models during the training of continual learning. In this paper, we question whether the complexity of these models is needed to achieve good performance by comparing them to a simple baseline that we designed. We argue that the pretrained feature extractor itself can be strong enough to achieve a competitive or even better continual learning performance on Split-CIFAR100 and CoRe 50 benchmarks. To validate this, we conduct a very simple baseline that 1) use the frozen pretrained model to extract image features for every class encountered during the continual learning stage and compute their corresponding mean features on training data, and 2) predict the class of the input based on the nearest neighbor distance between test samples and mean features of the classes; i.e., Nearest Mean Classifier (NMC). This baseline is single-headed, exemplar-free, and can be task-free (by updating the means continually). This baseline achieved 88.53% on 10-Split-CIFAR-100, surpassing most state-of-the-art continual learning methods that are all initialized using the same pretrained transformer model. We hope our baseline may encourage future progress in designing learning systems that can continually add quality to the learning representations even if they started from some pretrained weights.

Feature engineering has become one of the most important steps to improve model prediction performance, and to produce quality datasets. However, this process requires non-trivial domain-knowledge which involves a time-consuming process. Thereby, automating such process has become an active area of research and of interest in industrial applications. In this paper, a novel method, called Meta-learning and Causality Based Feature Engineering (MACFE), is proposed; our method is based on the use of meta-learning, feature distribution encoding, and causality feature selection. In MACFE, meta-learning is used to find the best transformations, then the search is accelerated by pre-selecting "original" features given their causal relevance. Experimental evaluations on popular classification datasets show that MACFE can improve the prediction performance across eight classifiers, outperforms the current state-of-the-art methods in average by at least 6.54%, and obtains an improvement of 2.71% over the best previous works.

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.

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.

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.

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.

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

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.

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle to interpret, such as ensemble or deep learning models, creating a tension between accuracy and interpretability. In response, various methods have recently been proposed to help users interpret the predictions of complex models, but it is often unclear how these methods are related and when one method is preferable over another. To address this problem, we present a unified framework for interpreting predictions, SHAP (SHapley Additive exPlanations). SHAP assigns each feature an importance value for a particular prediction. Its novel components include: (1) the identification of a new class of additive feature importance measures, and (2) theoretical results showing there is a unique solution in this class with a set of desirable properties. The new class unifies six existing methods, notable because several recent methods in the class lack the proposed desirable properties. Based on insights from this unification, we present new methods that show improved computational performance and/or better consistency with human intuition than previous approaches.

With the rise of large language models (LLMs) for flexibly processing information as strings, a natural application is regression, specifically by preprocessing string representations into LLM embeddings as downstream features for metric prediction. In this paper, we provide one of the first comprehensive investigations into embedding-based regression and demonstrate that LLM embeddings as features can be better for high-dimensional regression tasks than using traditional feature engineering. This regression performance can be explained in part due to LLM embeddings over numeric data inherently preserving Lipschitz continuity over the feature space. Furthermore, we quantify the contribution of different model effects, most notably model size and language understanding, which we find surprisingly do not always improve regression performance.

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.

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

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Machine learning models routinely automate decisions in applications like lending and hiring. In such settings, consumer protection rules require companies that deploy models to explain predictions to decision subjects. These rules are motivated, in part, by the belief that explanations can promote recourse by revealing information that individuals can use to contest or improve their outcomes. In practice, many companies comply with these rules by providing individuals with a list of the most important features for their prediction, which they identify based on feature importance scores from feature attribution methods such as SHAP or LIME. In this work, we show how these practices can undermine consumers by highlighting features that would not lead to an improved outcome and by explaining predictions that cannot be changed. We propose to address these issues by highlighting features based on their responsiveness score -- i.e., the probability that an individual can attain a target prediction by changing a specific feature. We develop efficient methods to compute responsiveness scores for any model and any dataset. We conduct an extensive empirical study on the responsiveness of explanations in lending. Our results show that standard practices in consumer finance can backfire by presenting consumers with reasons without recourse, and demonstrate how our approach improves consumer protection by highlighting responsive features and identifying fixed predictions.

Recent works have extended notions of feature importance to semantic concepts that are inherently interpretable to the users interacting with a black-box predictive model. Yet, precise statistical guarantees, such as false positive rate control, are needed to communicate findings transparently and to avoid unintended consequences in real-world scenarios. In this paper, we formalize the global (i.e., over a population) and local (i.e., for a sample) statistical importance of semantic concepts for the predictions of opaque models, by means of conditional independence, which allows for rigorous testing. We use recent ideas of sequential kernelized testing (SKIT) to induce a rank of importance across concepts, and showcase the effectiveness and flexibility of our framework on synthetic datasets as well as on image classification tasks using vision-language models such as CLIP.

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios. Code and data are available at https://github.com/facebookresearch/SIE.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

We propose a game-based formulation for learning dimensionality-reducing representations of feature vectors, when only a prior knowledge on future prediction tasks is available. In this game, the first player chooses a representation, and then the second player adversarially chooses a prediction task from a given class, representing the prior knowledge. The first player aims is to minimize, and the second player to maximize, the regret: The minimal prediction loss using the representation, compared to the same loss using the original features. For the canonical setting in which the representation, the response to predict and the predictors are all linear functions, and under the mean squared error loss function, we derive the theoretically optimal representation in pure strategies, which shows the effectiveness of the prior knowledge, and the optimal regret in mixed strategies, which shows the usefulness of randomizing the representation. For general representations and loss functions, we propose an efficient algorithm to optimize a randomized representation. The algorithm only requires the gradients of the loss function, and is based on incrementally adding a representation rule to a mixture of such rules.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

This paper introduces WeatherFormer, a transformer encoder-based model designed to learn robust weather features from minimal observations. It addresses the challenge of modeling complex weather dynamics from small datasets, a bottleneck for many prediction tasks in agriculture, epidemiology, and climate science. WeatherFormer was pretrained on a large pretraining dataset comprised of 39 years of satellite measurements across the Americas. With a novel pretraining task and fine-tuning, WeatherFormer achieves state-of-the-art performance in county-level soybean yield prediction and influenza forecasting. Technical innovations include a unique spatiotemporal encoding that captures geographical, annual, and seasonal variations, adapting the transformer architecture to continuous weather data, and a pretraining strategy to learn representations that are robust to missing weather features. This paper for the first time demonstrates the effectiveness of pretraining large transformer encoder models for weather-dependent applications across multiple domains.

Real-world scenarios are usually accompanied by continuously appearing classes with scare labeled samples, which require the machine learning model to incrementally learn new classes and maintain the knowledge of base classes. In this Few-Shot Class-Incremental Learning (FSCIL) scenario, existing methods either introduce extra learnable components or rely on a frozen feature extractor to mitigate catastrophic forgetting and overfitting problems. However, we find a tendency for existing methods to misclassify the samples of new classes into base classes, which leads to the poor performance of new classes. In other words, the strong discriminability of base classes distracts the classification of new classes. To figure out this intriguing phenomenon, we observe that although the feature extractor is only trained on base classes, it can surprisingly represent the semantic similarity between the base and unseen new classes. Building upon these analyses, we propose a simple yet effective Training-frEE calibratioN (TEEN) strategy to enhance the discriminability of new classes by fusing the new prototypes (i.e., mean features of a class) with weighted base prototypes. In addition to standard benchmarks in FSCIL, TEEN demonstrates remarkable performance and consistent improvements over baseline methods in the few-shot learning scenario. Code is available at: https://github.com/wangkiw/TEEN

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

Language models have recently been shown capable of performing regression tasks wherein numeric predictions are represented as decoded strings. In this work, we provide theoretical grounds for this capability and furthermore investigate the utility of causal auto-regressive sequence models when they are applied to any feature representation. We find that, despite being trained in the usual way - for next-token prediction via cross-entropy loss - decoding-based regression is as performant as traditional approaches for tabular regression tasks, while being flexible enough to capture arbitrary distributions, such as in the task of density estimation.

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.

Machine learning techniques are effective for building predictive models because they identify patterns in large datasets. Development of a model for complex real-life problems often stop at the point of publication, proof of concept or when made accessible through some mode of deployment. However, a model in the medical domain risks becoming obsolete as patient demographics, systems and clinical practices change. The maintenance and monitoring of predictive model performance post-publication is crucial to enable their safe and effective long-term use. We will assess the infrastructure required to monitor the outputs of a machine learning algorithm, and present two scenarios with examples of monitoring and updates of models, firstly on a breast cancer prognosis model trained on public longitudinal data, and secondly on a neurodegenerative stratification algorithm that is currently being developed and tested in clinic.

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

Methods for neural network hyperparameter optimization and meta-modeling are computationally expensive due to the need to train a large number of model configurations. In this paper, we show that standard frequentist regression models can predict the final performance of partially trained model configurations using features based on network architectures, hyperparameters, and time-series validation performance data. We empirically show that our performance prediction models are much more effective than prominent Bayesian counterparts, are simpler to implement, and are faster to train. Our models can predict final performance in both visual classification and language modeling domains, are effective for predicting performance of drastically varying model architectures, and can even generalize between model classes. Using these prediction models, we also propose an early stopping method for hyperparameter optimization and meta-modeling, which obtains a speedup of a factor up to 6x in both hyperparameter optimization and meta-modeling. Finally, we empirically show that our early stopping method can be seamlessly incorporated into both reinforcement learning-based architecture selection algorithms and bandit based search methods. Through extensive experimentation, we empirically show our performance prediction models and early stopping algorithm are state-of-the-art in terms of prediction accuracy and speedup achieved while still identifying the optimal model configurations.

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.

Feature-based methods are commonly used to explain model predictions, but these methods often implicitly assume that interpretable features are readily available. However, this is often not the case for high-dimensional data, and it can be hard even for domain experts to mathematically specify which features are important. Can we instead automatically extract collections or groups of features that are aligned with expert knowledge? To address this gap, we present FIX (Features Interpretable to eXperts), a benchmark for measuring how well a collection of features aligns with expert knowledge. In collaboration with domain experts, we propose FIXScore, a unified expert alignment measure applicable to diverse real-world settings across cosmology, psychology, and medicine domains in vision, language and time series data modalities. With FIXScore, we find that popular feature-based explanation methods have poor alignment with expert-specified knowledge, highlighting the need for new methods that can better identify features interpretable to experts.

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes standard molecular feature extraction methods based on circular fingerprints. We show that these data-driven features are more interpretable, and have better predictive performance on a variety of tasks.

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.

This paper explores feature prediction as a stand-alone objective for unsupervised learning from video and introduces V-JEPA, a collection of vision models trained solely using a feature prediction objective, without the use of pretrained image encoders, text, negative examples, reconstruction, or other sources of supervision. The models are trained on 2 million videos collected from public datasets and are evaluated on downstream image and video tasks. Our results show that learning by predicting video features leads to versatile visual representations that perform well on both motion and appearance-based tasks, without adaption of the model's parameters; e.g., using a frozen backbone. Our largest model, a ViT-H/16 trained only on videos, obtains 81.9% on Kinetics-400, 72.2% on Something-Something-v2, and 77.9% on ImageNet1K.

Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.

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.

We investigate the predictability of large language model (LLM) capabilities: given records of past experiments using different model families, numbers of parameters, tasks, and numbers of in-context examples, can we accurately predict LLM performance on new experiment configurations? Answering this question has practical implications for LLM users (e.g., deciding which models to try), developers (e.g., prioritizing evaluation on representative tasks), and the research community (e.g., identifying hard-to-predict capabilities that warrant further investigation). We study the performance prediction problem on experiment records from BIG-bench. On a random train-test split, an MLP-based predictor achieves an R^2 score greater than 95%, indicating the presence of learnable patterns within the experiment records. We then formulate the problem of searching for "small-bench," an informative subset of BIG-bench tasks from which the performance on the full set can be maximally recovered. We find a subset as informative as BIG-bench Hard for evaluating new model families, while being 3times smaller. Additionally, we find competitive subsets by clustering task representations learned by our MLP-based predictor and selecting tasks close to cluster centroids, highlighting the importance of task diversity in constructing "small-bench."

Predictor-based methods have substantially enhanced Neural Architecture Search (NAS) optimization. The efficacy of these predictors is largely influenced by the method of encoding neural network architectures. While traditional encodings used an adjacency matrix describing the graph structure of a neural network, novel encodings embrace a variety of approaches from unsupervised pretraining of latent representations to vectors of zero-cost proxies. In this paper, we categorize and investigate neural encodings from three main types: structural, learned, and score-based. Furthermore, we extend these encodings and introduce unified encodings, that extend NAS predictors to multiple search spaces. Our analysis draws from experiments conducted on over 1.5 million neural network architectures on NAS spaces such as NASBench-101 (NB101), NB201, NB301, Network Design Spaces (NDS), and TransNASBench-101. Building on our study, we present our predictor FLAN: Flow Attention for NAS. FLAN integrates critical insights on predictor design, transfer learning, and unified encodings to enable more than an order of magnitude cost reduction for training NAS accuracy predictors. Our implementation and encodings for all neural networks are open-sourced at https://github.com/abdelfattah-lab/flan_nas{https://github.com/abdelfattah-lab/flan\_nas}.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of relative signal strength (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple Noise Ignorant Empirical Risk Minimization (NI-ERM) principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

Checklists are simple decision aids that are often used to promote safety and reliability in clinical applications. In this paper, we present a method to learn checklists for clinical decision support. We represent predictive checklists as discrete linear classifiers with binary features and unit weights. We then learn globally optimal predictive checklists from data by solving an integer programming problem. Our method allows users to customize checklists to obey complex constraints, including constraints to enforce group fairness and to binarize real-valued features at training time. In addition, it pairs models with an optimality gap that can inform model development and determine the feasibility of learning sufficiently accurate checklists on a given dataset. We pair our method with specialized techniques that speed up its ability to train a predictive checklist that performs well and has a small optimality gap. We benchmark the performance of our method on seven clinical classification problems, and demonstrate its practical benefits by training a short-form checklist for PTSD screening. Our results show that our method can fit simple predictive checklists that perform well and that can easily be customized to obey a rich class of custom constraints.

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.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

A key goal of current mechanistic interpretability research in NLP is to find linear features (also called "feature vectors") for transformers: directions in activation space corresponding to concepts that are used by a given model in its computation. Present state-of-the-art methods for finding linear features require large amounts of labelled data -- both laborious to acquire and computationally expensive to utilize. In this work, we introduce a novel method, called "observable propagation" (in short: ObsProp), for finding linear features used by transformer language models in computing a given task -- using almost no data. Our paradigm centers on the concept of observables, linear functionals corresponding to given tasks. We then introduce a mathematical theory for the analysis of feature vectors: we provide theoretical motivation for why LayerNorm nonlinearities do not affect the direction of feature vectors; we also introduce a similarity metric between feature vectors called the coupling coefficient which estimates the degree to which one feature's output correlates with another's. We use ObsProp to perform extensive qualitative investigations into several tasks, including gendered occupational bias, political party prediction, and programming language detection. Our results suggest that ObsProp surpasses traditional approaches for finding feature vectors in the low-data regime, and that ObsProp can be used to better understand the mechanisms responsible for bias in large language models. Code for experiments can be found at github.com/jacobdunefsky/ObservablePropagation.

Recognizing that traditional forecasting models often rely solely on historical demand, this work investigates the potential of data-driven techniques to automatically select and integrate market indicators for improving customer demand predictions. By adopting an exploratory methodology, we integrate macroeconomic time series, such as national GDP growth, from the Eurostat database into Neural Prophet and SARIMAX forecasting models. Suitable time series are automatically identified through different state-of-the-art feature selection methods and applied to sales data from our industrial partner. It could be shown that forecasts can be significantly enhanced by incorporating external information. Notably, the potential of feature selection methods stands out, especially due to their capability for automation without expert knowledge and manual selection effort. In particular, the Forward Feature Selection technique consistently yielded superior forecasting accuracy for both SARIMAX and Neural Prophet across different company sales datasets. In the comparative analysis of the errors of the selected forecasting models, namely Neural Prophet and SARIMAX, it is observed that neither model demonstrates a significant superiority over the other.

Self-predictive unsupervised learning methods such as BYOL or SimSiam have shown impressive results, and counter-intuitively, do not collapse to trivial representations. In this work, we aim at exploring the simplest possible mathematical arguments towards explaining the underlying mechanisms behind self-predictive unsupervised learning. We start with the observation that those methods crucially rely on the presence of a predictor network (and stop-gradient). With simple linear algebra, we show that when using a linear predictor, the optimal predictor is close to an orthogonal projection, and propose a general framework based on orthonormalization that enables to interpret and give intuition on why BYOL works. In addition, this framework demonstrates the crucial role of the exponential moving average and stop-gradient operator in BYOL as an efficient orthonormalization mechanism. We use these insights to propose four new closed-form predictor variants of BYOL to support our analysis. Our closed-form predictors outperform standard linear trainable predictor BYOL at 100 and 300 epochs (top-1 linear accuracy on ImageNet).

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

Pre-trained foundation models (FMs) have shown exceptional performance in univariate time series forecasting tasks. However, several practical challenges persist, including managing intricate dependencies among features and quantifying uncertainty in predictions. This study aims to tackle these critical limitations by introducing adapters; feature-space transformations that facilitate the effective use of pre-trained univariate time series FMs for multivariate tasks. Adapters operate by projecting multivariate inputs into a suitable latent space and applying the FM independently to each dimension. Inspired by the literature on representation learning and partially stochastic Bayesian neural networks, we present a range of adapters and optimization/inference strategies. Experiments conducted on both synthetic and real-world datasets confirm the efficacy of adapters, demonstrating substantial enhancements in forecasting accuracy and uncertainty quantification compared to baseline methods. Our framework, AdaPTS, positions adapters as a modular, scalable, and effective solution for leveraging time series FMs in multivariate contexts, thereby promoting their wider adoption in real-world applications. We release the code at https://github.com/abenechehab/AdaPTS.

Recently, efficient fine-tuning of large-scale pre-trained models has attracted increasing research interests, where linear probing (LP) as a fundamental module is involved in exploiting the final representations for task-dependent classification. However, most of the existing methods focus on how to effectively introduce a few of learnable parameters, and little work pays attention to the commonly used LP module. In this paper, we propose a novel Moment Probing (MP) method to further explore the potential of LP. Distinguished from LP which builds a linear classification head based on the mean of final features (e.g., word tokens for ViT) or classification tokens, our MP performs a linear classifier on feature distribution, which provides the stronger representation ability by exploiting richer statistical information inherent in features. Specifically, we represent feature distribution by its characteristic function, which is efficiently approximated by using first- and second-order moments of features. Furthermore, we propose a multi-head convolutional cross-covariance (MHC^3) to compute second-order moments in an efficient and effective manner. By considering that MP could affect feature learning, we introduce a partially shared module to learn two recalibrating parameters (PSRP) for backbones based on MP, namely MP_{+}. Extensive experiments on ten benchmarks using various models show that our MP significantly outperforms LP and is competitive with counterparts at less training cost, while our MP_{+} achieves state-of-the-art performance.

The recent breakthroughs in natural language processing for model pretraining on large quantities of data have opened the way for similar foundation models in computer vision. These models could greatly simplify the use of images in any system by producing all-purpose visual features, i.e., features that work across image distributions and tasks without finetuning. This work shows that existing pretraining methods, especially self-supervised methods, can produce such features if trained on enough curated data from diverse sources. We revisit existing approaches and combine different techniques to scale our pretraining in terms of data and model size. Most of the technical contributions aim at accelerating and stabilizing the training at scale. In terms of data, we propose an automatic pipeline to build a dedicated, diverse, and curated image dataset instead of uncurated data, as typically done in the self-supervised literature. In terms of models, we train a ViT model (Dosovitskiy et al., 2020) with 1B parameters and distill it into a series of smaller models that surpass the best available all-purpose features, OpenCLIP (Ilharco et al., 2021) on most of the benchmarks at image and pixel levels.

Prediction problems often admit competing models that perform almost equally well. This effect challenges key assumptions in machine learning when competing models assign conflicting predictions. In this paper, we define predictive multiplicity as the ability of a prediction problem to admit competing models with conflicting predictions. We introduce formal measures to evaluate the severity of predictive multiplicity and develop integer programming tools to compute them exactly for linear classification problems. We apply our tools to measure predictive multiplicity in recidivism prediction problems. Our results show that real-world datasets may admit competing models that assign wildly conflicting predictions, and motivate the need to measure and report predictive multiplicity in model development.

Pretrained transformers achieve the state of the art across tasks in natural language processing, motivating researchers to investigate their inner mechanisms. One common direction is to understand what features are important for prediction. In this paper, we apply information bottlenecks to analyze the attribution of each feature for prediction on a black-box model. We use BERT as the example and evaluate our approach both quantitatively and qualitatively. We show the effectiveness of our method in terms of attribution and the ability to provide insight into how information flows through layers. We demonstrate that our technique outperforms two competitive methods in degradation tests on four datasets. Code is available at https://github.com/bazingagin/IBA.

Many empirical studies of labor market questions rely on estimating relatively simple predictive models using small, carefully constructed longitudinal survey datasets based on hand-engineered features. Large Language Models (LLMs), trained on massive datasets, encode vast quantities of world knowledge and can be used for the next job prediction problem. However, while an off-the-shelf LLM produces plausible career trajectories when prompted, the probability with which an LLM predicts a particular job transition conditional on career history will not, in general, align with the true conditional probability in a given population. Recently, Vafa et al. (2024) introduced a transformer-based "foundation model", CAREER, trained using a large, unrepresentative resume dataset, that predicts transitions between jobs; it further demonstrated how transfer learning techniques can be used to leverage the foundation model to build better predictive models of both transitions and wages that reflect conditional transition probabilities found in nationally representative survey datasets. This paper considers an alternative where the fine-tuning of the CAREER foundation model is replaced by fine-tuning LLMs. For the task of next job prediction, we demonstrate that models trained with our approach outperform several alternatives in terms of predictive performance on the survey data, including traditional econometric models, CAREER, and LLMs with in-context learning, even though the LLM can in principle predict job titles that are not allowed in the survey data. Further, we show that our fine-tuned LLM-based models' predictions are more representative of the career trajectories of various workforce subpopulations than off-the-shelf LLM models and CAREER. We conduct experiments and analyses that highlight the sources of the gains in the performance of our models for representative predictions.

Concept Bottleneck Models (CBMs) are regarded as inherently interpretable because they first predict a set of human-defined concepts which are used to predict a task label. For inherent interpretability to be fully realised, and ensure trust in a model's output, it's desirable for concept predictions to use semantically meaningful input features. For instance, in an image, pixels representing a broken bone should contribute to predicting a fracture. However, current literature suggests that concept predictions often rely on irrelevant input features. We hypothesise that this occurs when dataset labels include inaccurate concept annotations, or the relationship between input features and concepts is unclear. In general, the effect of dataset labelling on concept representations remains an understudied area. In this paper, we demonstrate that CBMs can learn to map concepts to semantically meaningful input features, by utilising datasets with a clear link between the input features and the desired concept predictions. This is achieved, for instance, by ensuring multiple concepts do not always co-occur and, therefore provide a clear training signal for the CBM to distinguish the relevant input features for each concept. We validate our hypothesis on both synthetic and real-world image datasets, and demonstrate under the correct conditions, CBMs can learn to attribute semantically meaningful input features to the correct concept predictions.

Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

A primary goal of class-incremental learning is to strike a balance between stability and plasticity, where models should be both stable enough to retain knowledge learned from previously seen classes, and plastic enough to learn concepts from new classes. While previous works demonstrate strong performance on class-incremental benchmarks, it is not clear whether their success comes from the models being stable, plastic, or a mixture of both. This paper aims to shed light on how effectively recent class-incremental learning algorithms address the stability-plasticity trade-off. We establish analytical tools that measure the stability and plasticity of feature representations, and employ such tools to investigate models trained with various algorithms on large-scale class-incremental benchmarks. Surprisingly, we find that the majority of class-incremental learning algorithms heavily favor stability over plasticity, to the extent that the feature extractor of a model trained on the initial set of classes is no less effective than that of the final incremental model. Our observations not only inspire two simple algorithms that highlight the importance of feature representation analysis, but also suggest that class-incremental learning approaches, in general, should strive for better feature representation learning.

Spatiotemporal predictive learning methods generally fall into two categories: recurrent-based approaches, which face challenges in parallelization and performance, and recurrent-free methods, which employ convolutional neural networks (CNNs) as encoder-decoder architectures. These methods benefit from strong inductive biases but often at the expense of scalability and generalization. This paper proposes PredFormer, a pure transformer-based framework for spatiotemporal predictive learning. Motivated by the Vision Transformers (ViT) design, PredFormer leverages carefully designed Gated Transformer blocks, following a comprehensive analysis of 3D attention mechanisms, including full-, factorized-, and interleaved-spatial-temporal attention. With its recurrent-free, transformer-based design, PredFormer is both simple and efficient, significantly outperforming previous methods by large margins. Extensive experiments on synthetic and real-world datasets demonstrate that PredFormer achieves state-of-the-art performance. On Moving MNIST, PredFormer achieves a 51.3% reduction in MSE relative to SimVP. For TaxiBJ, the model decreases MSE by 33.1% and boosts FPS from 533 to 2364. Additionally, on WeatherBench, it reduces MSE by 11.1% while enhancing FPS from 196 to 404. These performance gains in both accuracy and efficiency demonstrate PredFormer's potential for real-world applications. The source code will be released at https://github.com/yyyujintang/PredFormer .

The recent boom of linear forecasting models questions the ongoing passion for architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformers are challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the embedding for each temporal token fuses multiple variates that represent potential delayed events and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any modification to the basic components. We propose iTransformer that simply applies the attention and feed-forward network on the inverted dimensions. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations. The iTransformer model achieves state-of-the-art on challenging real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting. Code is available at this repository: https://github.com/thuml/iTransformer.

Objective: To transform heterogeneous clinical data from electronic health records into clinically meaningful constructed features using data driven method that rely, in part, on temporal relations among data. Materials and Methods: The clinically meaningful representations of medical concepts and patients are the key for health analytic applications. Most of existing approaches directly construct features mapped to raw data (e.g., ICD or CPT codes), or utilize some ontology mapping such as SNOMED codes. However, none of the existing approaches leverage EHR data directly for learning such concept representation. We propose a new way to represent heterogeneous medical concepts (e.g., diagnoses, medications and procedures) based on co-occurrence patterns in longitudinal electronic health records. The intuition behind the method is to map medical concepts that are co-occuring closely in time to similar concept vectors so that their distance will be small. We also derive a simple method to construct patient vectors from the related medical concept vectors. Results: For qualitative evaluation, we study similar medical concepts across diagnosis, medication and procedure. In quantitative evaluation, our proposed representation significantly improves the predictive modeling performance for onset of heart failure (HF), where classification methods (e.g. logistic regression, neural network, support vector machine and K-nearest neighbors) achieve up to 23% improvement in area under the ROC curve (AUC) using this proposed representation. Conclusion: We proposed an effective method for patient and medical concept representation learning. The resulting representation can map relevant concepts together and also improves predictive modeling performance.

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal scheduling of the update rule for the synaptic weights leads to an algorithm that is much more efficient and stable than the original one, and has theoretical guarantees in terms of convergence. The proposed algorithm, that we call incremental predictive coding (iPC) is also more biologically plausible than the original one, as it it fully automatic. In an extensive set of experiments, we show that iPC constantly performs better than the original formulation on a large number of benchmarks for image classification, as well as for the training of both conditional and masked language models, in terms of test accuracy, efficiency, and convergence with respect to a large set of hyperparameters.

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary energy-based guidance during inference time. The key defining feature of our sampler lies in its self-contained nature, \ie, implementable solely with a pretrained model. This distinguishes our sampler from existing techniques that require expensive additional components (like external classifiers) for minority generation. Specifically, we first estimate the likelihood of features within an intermediate latent sample by evaluating a reconstruction loss w.r.t. its posterior mean. The generation then proceeds with the minimization of the estimated likelihood, thereby encouraging the emergence of minority features in the latent samples of subsequent timesteps. To further improve the performance of our sampler, we provide several time-scheduling techniques that properly manage the influence of guidance over inference steps. Experiments on benchmark real datasets demonstrate that our approach can greatly improve the capability of creating realistic low-likelihood minority instances over the existing techniques without the reliance on costly additional elements. Code is available at https://github.com/soobin-um/sg-minority.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Multivariate time series classification is a crucial task in data mining, attracting growing research interest due to its broad applications. While many existing methods focus on discovering discriminative patterns in time series, real-world data does not always present such patterns, and sometimes raw numerical values can also serve as discriminative features. Additionally, the recent success of Transformer models has inspired many studies. However, when applying to time series classification, the self-attention mechanisms in Transformer models could introduce classification-irrelevant features, thereby compromising accuracy. To address these challenges, we propose a novel method, VSFormer, that incorporates both discriminative patterns (shape) and numerical information (value). In addition, we extract class-specific prior information derived from supervised information to enrich the positional encoding and provide classification-oriented self-attention learning, thereby enhancing its effectiveness. Extensive experiments on all 30 UEA archived datasets demonstrate the superior performance of our method compared to SOTA models. Through ablation studies, we demonstrate the effectiveness of the improved encoding layer and the proposed self-attention mechanism. Finally, We provide a case study on a real-world time series dataset without discriminative patterns to interpret our model.

Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.

Automated interpretability pipelines generate natural language descriptions for the concepts represented by features in large language models (LLMs), such as plants or the first word in a sentence. These descriptions are derived using inputs that activate the feature, which may be a dimension or a direction in the model's representation space. However, identifying activating inputs is costly, and the mechanistic role of a feature in model behavior is determined both by how inputs cause a feature to activate and by how feature activation affects outputs. Using steering evaluations, we reveal that current pipelines provide descriptions that fail to capture the causal effect of the feature on outputs. To fix this, we propose efficient, output-centric methods for automatically generating feature descriptions. These methods use the tokens weighted higher after feature stimulation or the highest weight tokens after applying the vocabulary "unembedding" head directly to the feature. Our output-centric descriptions better capture the causal effect of a feature on model outputs than input-centric descriptions, but combining the two leads to the best performance on both input and output evaluations. Lastly, we show that output-centric descriptions can be used to find inputs that activate features previously thought to be "dead".

Language models obtain extensive capabilities through pre-training. However, the pre-training process remains a black box. In this work, we track linear interpretable feature evolution across pre-training snapshots using a sparse dictionary learning method called crosscoders. We find that most features begin to form around a specific point, while more complex patterns emerge in later training stages. Feature attribution analyses reveal causal connections between feature evolution and downstream performance. Our feature-level observations are highly consistent with previous findings on Transformer's two-stage learning process, which we term a statistical learning phase and a feature learning phase. Our work opens up the possibility to track fine-grained representation progress during language model learning dynamics.

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.

Click-Through Rate prediction is an important task in recommender systems, which aims to estimate the probability of a user to click on a given item. Recently, many deep models have been proposed to learn low-order and high-order feature interactions from original features. However, since useful interactions are always sparse, it is difficult for DNN to learn them effectively under a large number of parameters. In real scenarios, artificial features are able to improve the performance of deep models (such as Wide & Deep Learning), but feature engineering is expensive and requires domain knowledge, making it impractical in different scenarios. Therefore, it is necessary to augment feature space automatically. In this paper, We propose a novel Feature Generation by Convolutional Neural Network (FGCNN) model with two components: Feature Generation and Deep Classifier. Feature Generation leverages the strength of CNN to generate local patterns and recombine them to generate new features. Deep Classifier adopts the structure of IPNN to learn interactions from the augmented feature space. Experimental results on three large-scale datasets show that FGCNN significantly outperforms nine state-of-the-art models. Moreover, when applying some state-of-the-art models as Deep Classifier, better performance is always achieved, showing the great compatibility of our FGCNN model. This work explores a novel direction for CTR predictions: it is quite useful to reduce the learning difficulties of DNN by automatically identifying important features.

Class-Incremental Learning (CIL) requires a learning system to continually learn new classes without forgetting. Despite the strong performance of Pre-Trained Models (PTMs) in CIL, a critical issue persists: learning new classes often results in the overwriting of old ones. Excessive modification of the network causes forgetting, while minimal adjustments lead to an inadequate fit for new classes. As a result, it is desired to figure out a way of efficient model updating without harming former knowledge. In this paper, we propose ExpAndable Subspace Ensemble (EASE) for PTM-based CIL. To enable model updating without conflict, we train a distinct lightweight adapter module for each new task, aiming to create task-specific subspaces. These adapters span a high-dimensional feature space, enabling joint decision-making across multiple subspaces. As data evolves, the expanding subspaces render the old class classifiers incompatible with new-stage spaces. Correspondingly, we design a semantic-guided prototype complement strategy that synthesizes old classes' new features without using any old class instance. Extensive experiments on seven benchmark datasets verify EASE's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/CVPR24-Ease

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.

ML models often exhibit unexpectedly poor behavior when they are deployed in real-world domains. We identify underspecification as a key reason for these failures. An ML pipeline is underspecified when it can return many predictors with equivalently strong held-out performance in the training domain. Underspecification is common in modern ML pipelines, such as those based on deep learning. Predictors returned by underspecified pipelines are often treated as equivalent based on their training domain performance, but we show here that such predictors can behave very differently in deployment domains. This ambiguity can lead to instability and poor model behavior in practice, and is a distinct failure mode from previously identified issues arising from structural mismatch between training and deployment domains. We show that this problem appears in a wide variety of practical ML pipelines, using examples from computer vision, medical imaging, natural language processing, clinical risk prediction based on electronic health records, and medical genomics. Our results show the need to explicitly account for underspecification in modeling pipelines that are intended for real-world deployment in any domain.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

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.

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.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Multi-token prediction has emerged as a promising objective for improving language model pretraining, but its benefits have not consistently generalized to other settings such as fine-tuning. In this paper, we propose MuToR, a simple and effective approach to multi-token prediction that interleaves learnable register tokens into the input sequence, each tasked with predicting future targets. Compared to existing methods, MuToR offers several key advantages: it introduces only a negligible number of additional parameters, requires no architectural changes--ensuring compatibility with off-the-shelf pretrained language models--and remains aligned with the next-token pretraining objective, making it especially well-suited for supervised fine-tuning. Moreover, it naturally supports scalable prediction horizons. We demonstrate the effectiveness and versatility of MuToR across a range of use cases, including supervised fine-tuning, parameter-efficient fine-tuning (PEFT), and pretraining, on challenging generative tasks in both language and vision domains. Our code will be available at: https://github.com/nasosger/MuToR.

Knowing the features of a complex system that are highly relevant to a particular target variable is of fundamental interest in many areas of science. Existing approaches are often limited to linear settings, sometimes lack guarantees, and in most cases, do not scale to the problem at hand, in particular to images. We propose DRCFS, a doubly robust feature selection method for identifying the causal features even in nonlinear and high dimensional settings. We provide theoretical guarantees, illustrate necessary conditions for our assumptions, and perform extensive experiments across a wide range of simulated and semi-synthetic datasets. DRCFS significantly outperforms existing state-of-the-art methods, selecting robust features even in challenging highly non-linear and high-dimensional problems.

Human trajectory prediction is typically posed as a zero-shot generalization problem: a predictor is learnt on a dataset of human motion in training scenes, and then deployed on unseen test scenes. While this paradigm has yielded tremendous progress, it fundamentally assumes that trends in human behavior within the deployment scene are constant over time. As such, current prediction models are unable to adapt to scene-specific transient human behaviors, such as crowds temporarily gathering to see buskers, pedestrians hurrying through the rain and avoiding puddles, or a protest breaking out. We formalize the problem of scene-specific adaptive trajectory prediction and propose a new adaptation approach inspired by prompt tuning called latent corridors. By augmenting the input of any pre-trained human trajectory predictor with learnable image prompts, the predictor can improve in the deployment scene by inferring trends from extremely small amounts of new data (e.g., 2 humans observed for 30 seconds). With less than 0.1% additional model parameters, we see up to 23.9% ADE improvement in MOTSynth simulated data and 16.4% ADE in MOT and Wildtrack real pedestrian data. Qualitatively, we observe that latent corridors imbue predictors with an awareness of scene geometry and scene-specific human behaviors that non-adaptive predictors struggle to capture. The project website can be found at https://neerja.me/atp_latent_corridors/.

In this study, we approached the Hit Song Prediction problem, which aims to predict which songs will become Billboard hits. We gathered a dataset of nearly 18500 hit and non-hit songs and extracted their audio features using the Spotify Web API. We test four machine-learning models on our dataset. We were able to predict the Billboard success of a song with approximately 86\% accuracy. The most succesful algorithms were Random Forest and Support Vector Machine.

Mobile app review analysis presents unique challenges due to the low quality, subjective bias, and noisy content of user-generated documents. Extracting features from these reviews is essential for tasks such as feature prioritization and sentiment analysis, but it remains a challenging task. Meanwhile, encoder-only models based on the Transformer architecture have shown promising results for classification and information extraction tasks for multiple software engineering processes. This study explores the hypothesis that encoder-only large language models can enhance feature extraction from mobile app reviews. By leveraging crowdsourced annotations from an industrial context, we redefine feature extraction as a supervised token classification task. Our approach includes extending the pre-training of these models with a large corpus of user reviews to improve contextual understanding and employing instance selection techniques to optimize model fine-tuning. Empirical evaluations demonstrate that this method improves the precision and recall of extracted features and enhances performance efficiency. Key contributions include a novel approach to feature extraction, annotated datasets, extended pre-trained models, and an instance selection mechanism for cost-effective fine-tuning. This research provides practical methods and empirical evidence in applying large language models to natural language processing tasks within mobile app reviews, offering improved performance in feature extraction.

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

Accurate predictions using sequential spatiotemporal data are crucial for various applications. Utilizing real-world data, we aim to learn the intent of a smart device user within confined areas of a vehicle's surroundings. However, in real-world scenarios, environmental factors and sensor limitations result in non-stationary and irregularly sampled data, posing significant challenges. To address these issues, we developed a Transformer-based approach, STaRFormer, which serves as a universal framework for sequential modeling. STaRFormer employs a novel, dynamic attention-based regional masking scheme combined with semi-supervised contrastive learning to enhance task-specific latent representations. Comprehensive experiments on 15 datasets varying in types (including non-stationary and irregularly sampled), domains, sequence lengths, training samples, and applications, demonstrate the efficacy and practicality of STaRFormer. We achieve notable improvements over state-of-the-art approaches. Code and data will be made available.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

Modern image retrieval methods typically rely on fine-tuning pre-trained encoders to extract image-level descriptors. However, the most widely used models are pre-trained on ImageNet-1K with limited classes. The pre-trained feature representation is therefore not universal enough to generalize well to the diverse open-world classes. In this paper, we first cluster the large-scale LAION400M into one million pseudo classes based on the joint textual and visual features extracted by the CLIP model. Due to the confusion of label granularity, the automatically clustered dataset inevitably contains heavy inter-class conflict. To alleviate such conflict, we randomly select partial inter-class prototypes to construct the margin-based softmax loss. To further enhance the low-dimensional feature representation, we randomly select partial feature dimensions when calculating the similarities between embeddings and class-wise prototypes. The dual random partial selections are with respect to the class dimension and the feature dimension of the prototype matrix, making the classification conflict-robust and the feature embedding compact. Our method significantly outperforms state-of-the-art unsupervised and supervised image retrieval approaches on multiple benchmarks. The code and pre-trained models are released to facilitate future research https://github.com/deepglint/unicom.