=Paper= {{Paper |id=Vol-3841/Paper9 |storemode=property |title=From Must to May: Enabling Test-Time Feature Imputation and Interventions |pdfUrl=https://ceur-ws.org/Vol-3841/Paper9.pdf |volume=Vol-3841 |authors=Evan Rex,Mateo Espinosa Zarlenga,Andrei Margeloiu,Mateja Jamnik |dblpUrl=https://dblp.org/rec/conf/hi-ai/RexZMJ24 }} ==From Must to May: Enabling Test-Time Feature Imputation and Interventions== https://ceur-ws.org/Vol-3841/Paper9.pdf
                                From Must to May: Enabling Test-Time Feature
                                Imputation and Interventions
                                Evan Rex, Mateo Espinosa Zarlenga, Andrei Margeloiu and Mateja Jamnik
                                Department of Computer Science and Technology, University of Cambridge, United Kingdom


                                           Abstract
                                           Interpretable machine learning models can be improved by correcting mispredicted intermediate steps
                                           via test-time interventions on their intermediate predictions. Methods that jointly learn to impute missing
                                           features and predict a downstream task can benefit from such interventions. However, determining
                                           which features to prioritise for intervention remains a challenge. To address this, we propose F-Act, a
                                           novel method employing feature selection to adaptively manage feature availability during test-time. Our
                                           approach achieves this by combining in-model imputation and test-time interventions on intermediate
                                           predictions to avoid the need for model retraining. Furthermore, F-Act can recommend which features
                                           to prioritise when collecting data, a key property when optimising performance in resource-limited
                                           environments. Our empirical analysis shows F-Act performs competitively or better than previous
                                           baselines in inference tasks with missing features when incorporating feature collection recommendations.
                                           Additionally, we show F-Act can incorporate missing feature values through test-time interventions,
                                           improving predictive performance without retraining across tasks.

                                           Keywords
                                           Test-time interventions, Missing value imputation, Feature selection




                                1. Introduction
                                Machine learning models for tabular datasets typically expect a complete feature set during
                                both training and inference. However, in practice, features are often missing during inference
                                due to the high cost and difficulty of obtaining the complete feature set for some samples (e.g.,
                                gene expression counts) [1, 2]. Such test-time feature unavailability necessitates models that
                                can make accurate predictions with incomplete feature sets. Additionally, since acquiring new
                                features may be prohibitively expensive, it is crucial for these models to offer recommendations
                                on which missing feature values to collect to maximise their impact on the modelโ€™s accuracy.
                                   Current strategies addressing limited feature availability typically involve either: (i) imputing,
                                or predicting, missing features at test-time [1], or (ii) selecting a minimal feature subset on
                                which the model is retrained [3, 4]. Although these methods are practical, they have clear
                                limitations in scenarios with variable feature availability: Feature selection identifies critical
                                features but cannot adapt to changes in feature availability, while imputation provides flexibility
                                but lacks guidance for users on prioritising features.
                                   In this paper, we address this gap by introducing F-Act (Feature-wise Active adaptation), a
                                method that combines feature selection with imputation to enable adaptation to variable feature

                                HI-AI@KDD, Human-Interpretable AI Workshop at the KDD 2024, 26๐‘กโ„Ž of August 2024, Barcelona, Spain
                                $ er647@cam.ac.uk (E. Rex); me466@cam.ac.uk (M. E. Zarlenga); am2770@cam.ac.uk (A. Margeloiu);
                                mj201@cam.ac.uk (M. Jamnik)
                                         ยฉ 2024 Copyright for this paper by its authors. Use permitted under Creative Commons License Attribution 4.0 International (CC BY 4.0).




CEUR
                  ceur-ws.org
Workshop      ISSN 1613-0073
Proceedings
availability without retraining, all while maintaining high predictive accuracy. F-Act achieves
this by, first, imputing missing features at test-time and, second, enabling new features to be
incorporated through test-time interventions, where F-Actโ€™s intermediate predictions space is
modified to incorporate the presence of a new feature. Technically, F-Act employs differentiable
mask sampling and feature reconstruction to learn to optimally operate from an incomplete set
of features. This design enables F-Act to advise on the order features should be collected to
maximise their impact, permitting deployment in resource-constrained settings. Using real and
synthetic datasets, we evaluate F-Act and find that it matches benchmarksโ€™ performance in
imputation, feature selection, and prediction, providing recommendations that enhance model
performance through adaptive feature incorporation.


2. Background and Related Work
Imputation and Feature Selection Our work incorporates both feature imputation and
feature selection to address limited test-time feature availability. As such, our work is placed at
the intersection of these two research subfields. Previous works in feature imputation can be
divided into auxiliary model-based approaches and joint learning approaches. In this context,
auxiliary-model-based approaches pair prediction models with separate imputation methods
[5, 6, 7] while joint learning approaches integrate both prediction and feature selection in an
end-to-end model [8, 9]. Nevertheless, we emphasise that previously proposed imputation
techniques lack feature prioritisation for collection, leading to uncertainty over what features
one should prioritise when deploying the model in a setup with varying feature availability.
This is a key gap we aim to address with this paper.
   Feature selection techniques [10, 11, 12, 13], in contrast, deal with potential feature unavail-
ability (or redundancy) by learning to select a subset of features from which a task can be
accurately solved. These approaches commonly achieve this by learning a feature importance
ranking that can then inform which subset of features one should select. A shortcoming of these
approaches, however, is their inflexibility to a varying set of input features, as, once features
have been selected, they require a fixed subset of features to train the downstream model [14].
As such, in this work we combine feature imputation with feature selection to enable easy
adaptability from a core set of initially selected features. We note that combining feature selec-
tion and imputation has been previously explored [15, 16, 17, 3]. However, performing feature
selection with joint learning for inference and imputation in a single end-to-end architecture is
novel. This is worth exploring, as Bertsimas et al. [8] and Le Morvan et al. [9] note that joint
learning for imputation and inference can yield improved results.

Relation to Active Feature Acquisition Active Feature Acquisition (AFA) involves learning
a policy for collecting new features at test-time such that a modelโ€™s accuracy is maximised
after observing a small set of features [18, 19, 20, 21]. As we are interested in providing feature
collection recommendations, our work is highly related to AFA. Nevertheless, we highlight that
we distinguish ourselves from traditional AFA approaches in two key ways. First, we provide
feature collection recommendations at a global level rather than at a local, per-sample level.
Second, we learn to both select a subset of features and impute missing features in an end-to-end
                       (     ,       )                  ( ,    )                      ( , )

                       Mask Module
               (   )                     (   )

                                                   Reconstruction       Test-time             Prediction
                                                      Module          interventions            Module




Figure 1: F-Act. Given a sample x, we apply an element-wise mask msoft โˆˆ [0, 1]๐‘› , which acts as
a sparsity-inducing global feature selection mask, eliminating noisy features and resulting in xฬƒ. We
then apply an element-wise mask mhard โˆˆ {0, 1}๐‘› , sampled from a Gumbel-Softmax distribution with
learnable probabilities ๐œ‹hard . The masked features are reconstructed by the Reconstruction Module, ๐‘“๐‘… ,
to approximate xฬƒ. Subsequently, we perform test-time interventions on this reconstructed sample by
re-incorporating ๐‘˜ previously masked features according to a greedy policy, ๐œ‡ derived from the rankings
of ๐œ‹hard , resulting in xฬƒ๐ผ . Finally, the Prediction Module, ๐‘“๐‘ƒ predicts the sampleโ€™s label.


fashion, enabling missing features to be predicted at test-time.

Relation to Human Interpretable Artificial Intelligence Human Interpretable Artificial
Intelligence (HI-AI) refers to AI systems designed to ensure their decisions and workings are
understandable and transparent to humans. Our work is related to HI-AI methods as it enables
(1) reconstruction of missing features through test-time imputations, providing insights into
a modelโ€™s understanding of how missing features relate to provided ones, (2) construction of
feature importance rankings through its feature collection recommendations, and (3) test-time
interventions, where users can provide previously missing features by intervening on F-Actโ€™s
intermediate predictions using these featuresโ€™ values. As such, our work is related to previous
interpretable imputation techniques [22, 7] and methods in the concept-based explainable AI
literature [23, 24, 25, 26] that provide test-time feedback to models via human-aligned concepts.


3. Feature-wise Active adaptation
We present a joint learning framework for inference and missing value imputation that offers
users insights into which missing feature values should be prioritised for collection and inter-
vention. Formally, our goal is to learn a predictor ๐‘“๐œƒ , parameterised by ๐œƒ, which can operate on
any subset of features ๐‘† โІ โ„ฑ. Concurrently, the predictor ๐‘“๐œƒ should also suggest which missing
feature values to collect for intervention at test-time, prioritised by their importance to improve
the predictorโ€™s performance. We achieve this by introducing F-Act (Figure 1), a method for the
joint learning of feature selection, missing value imputation, and prediction. Our architecture
comprises three modules: (i) a Mask module that facilitates feature selection, (ii) a Reconstruction
module for feature imputation, and (iii) a Prediction module for making predictions.
   The Mask module serves three objectives: i) global feature selection to eliminate irrelevant
features, ii) learning feature importance rankings to provide recommendations for feature
collection, and iii) simulating a missing feature scenario to train the Reconstruction module.
We achieve all this functionality through hierarchical masking, first employing a soft mask
msoft โˆˆ [0, 1]๐‘‘ for feature selection and then a hard mask mhard โˆˆ {0, 1}๐‘‘ to simulate missing
features. The hard mask is sampled from a Gumbel-Softmax distribution [27] with a learnable
probability ๐œ‹โ„Ž๐‘Ž๐‘Ÿ๐‘‘ .
   To enable predictions from any truncated feature space and facilitate test-time interventions,
we use the Reconstruction Module to reconstruct features from the truncated feature space
๐’ณหœ ๐‘† generated by the hard mask. The Reconstruction Module outputs โ€œreconstructedโ€ samples,
containing feature values for all values, even though they are missing from the original input.
The reconstructed samples are then processed by the Prediction Module, which maps from the
complete feature space ๐’ณ   หœ to make the predictions ๐’ด. This setup ensures the model can make
predictions even when in the presence of missing features.
   To provide feature collection recommendations, we define a greedy intervention policy that
corrects reconstructed data based on feature selection probabilities from the mask module. This
is the same approach used by feature importance-based selection methods [11, 4, 13, 12].
   In order to jointly learn to perform feature selection, missing feature imputation and,
downstream task prediction, we train our model using a composite loss function โ„’ =
โ„’P + ๐›ผ๐‘† โ„’S + ๐›ผ๐‘… โ„’R where ๐›ผ๐‘† and ๐›ผ๐‘… are hyperparameters controlling how much we value
feature selection (i.e., โ„’S ) and feature reconstruction (i.e., โ„’R ) over task accuracy (i.e., โ„’P ).
   To encourage our model to perform a sparse feature selection, we follow previous works [28, 4]
and let โ„’S be the โ„“1 norm of the soft and hard learnable mask probabilities:
                                            ๐‘‘ (๏ธ
                                           โˆ‘๏ธ                        )๏ธ
                                   โ„’S :=           ๐œ‹soft๐‘– + ๐œ‹hard๐‘–
                                           ๐‘–=1
   In contrast, to encourage accurate imputation of masked features, we include a reconstruction
loss term โ„’R that minimises the โ„“2 norm of the difference between reconstructed/imputed
feature values and ground truth feature values:
                                  1     โˆ‘๏ธ
                        โ„’R :=                (xฬƒ๐‘– โˆ’ ๐‘“๐‘…๐‘– (mhard โŠ™ xฬƒ; ๐œƒ๐‘… ))2
                               |โ„ฑ โˆ– ๐‘†|
                                       ๐‘–โˆˆโ„ฑ โˆ–๐‘†

where ๐‘† is the set of features selected by the Mask module. This loss encourages our model to
learn to select a set of core features from which other, dependent features, may be easily imputed.
   Finally, to enable our model to predict downstream tasks both in and outside the presence of
potential feature interventions, we follow the work in [25] and define our prediction loss, โ„’P , as
              โ„’P := ๐ฟpred (๐‘“๐œƒ (x; ๐œƒ, 0), X, Y) + ๐œ” ๐‘˜max ๐ฟpred (๐‘“๐œƒ (x; ๐œƒ, ๐‘˜max ), X, Y)
Here, ๐‘“๐œƒ (x; ๐œƒ, ๐‘–) represents the output of the task predictor for sample x when the top-๐‘– de-
pendent features are intervened on and ๐‘˜max is the maximum number of interventions one
may perform (i.e., the number of dependent features |โ„ฑ โˆ– ๐‘†|). We clarify that, in this context,
an intervention for a feature x๐‘— involves setting the ๐‘—-th feature of the reconstructed features
x๐‘… to xฬƒ๐‘— . This loss, therefore, encourages the model to minimise a task-specific loss (e.g.,
cross-entropy) before and after interventions, with higher penalties incurred when a mistake is
made after a higher number of features have been intervened on at train time (controlled by a
hyperparameter ๐œ” > 1).
Table 1
Test F1 Scores (%) (class-weighted) are presented as the mean ยฑ standard deviation over three seeds.
To aggregate the results, we compute the average rank of each method across datasets, where a higher
rank indicates superior accuracy. F-Act achieves competitive accuracy and overall ranks higher than
other benchmark methods.
    Model        COIL20         Isolet        PBMC          USPS          Finance       Madelon       Mice Protein Avg. Rank
    Lasso       98.24 ยฑ 0.00 94.58 ยฑ 0.01   89.25 ยฑ 0.14 93.36 ยฑ 0.03   59.78 ยฑ 0.00   51.53 ยฑ 0.00   95.24 ยฑ 2.29   4.29
 Rand. Forest   96.76 ยฑ 0.18 90.09 ยฑ 0.45   88.66 ยฑ 0.37 93.36 ยฑ 0.15   61.95 ยฑ 0.47   67.19 ยฑ 0.26   96.98 ยฑ 1.82   4.07
  XGBoost       98.61 ยฑ 0.00 88.75 ยฑ 0.00   89.42 ยฑ 0.00 97.37 ยฑ 0.00   58.83 ยฑ 0.00   80.96 ยฑ 0.00   98.15 ยฑ 0.81   3.07
    SEFS        94.97 ยฑ 1.40 88.61 ยฑ 2.08   83.17 ยฑ 1.27 92.54 ยฑ 0.75   59.93 ยฑ 0.46   65.23 ยฑ 1.69   85.08 ยฑ 4.59   5.71
    CAE         97.04 ยฑ 0.87 80.14 ยฑ 1.28   68.07 ยฑ 5.34 90.47 ยฑ 0.83    59.26 ยฑ 1.2   70.19 ยฑ 1.83   85.35 ยฑ 5.37   5.86
  Sup. CAE       6.46 ยฑ 4.45  3.68 ยฑ 0.79   85.37 ยฑ 0.01 20.90 ยฑ 2.56   54.44 ยฑ 1.80   61.84 ยฑ 0.30   17.24 ยฑ 6.78   7.43
    MLP         98.83 ยฑ 0.53 93.48 ยฑ 1.29   89.42 ยฑ 0.48 96.78 ยฑ 0.15   57.02 ยฑ 3.96   57.18 ยฑ 0.89   98.30 ยฑ 0.27   3.36
 F-Act (Ours) 98.84 ยฑ 0.19 92.86 ยฑ 1.18 89.87 ยฑ 0.40 95.95 ยฑ 0.31       59.81 ยฑ 1.90    72.9 ยฑ 2.33   98.46 ยฑ 1.07   2.21



Inference By thresholding mask probabilities, we can identify core necessary features and
recommend which features to prioritize for collection. During inference, F-Act imputes missing
features dynamically and allows the re-incorporation of non-selected features in the form of
test-time interventions. In practice, given an incomplete sample at test-time, we replace the
missing values with 0. To perform feature selection, imputation and prediction, we apply the
mask, reconstruction and prediction modules in order. A change from the training procedure is
that, at test-time, the Gumbel Softmax functionโ€™s temperature is set to 0, making its performance
deterministic. This is equivalent to thresholding the hard mask probabilities at 0.5. Test-time
interventions are performed by replacing the reconstructions of the hard-masked features with
their true values, as shown in Figure 1.


4. Experiments
Datasets and benchmark methods We consider various real-world datasets commonly
referenced in feature selection literature. These include image datasets (COIL20 and USPS), a
voice audio dataset (Isolet) sourced from [29], a synthetic dataset (Madelon) from [30], genomic
datasets (PBMC [31] and Mice Protein [32]), and a financial dataset (Finance) from [33].
   Beyond predictive accuracy, we assess F-Actโ€™s capabilities in selecting important features
and recommending which features to collect at test-time to enhance performance. To this
end, we consider several feature selection methods, including LASSO [11], Random Forest [13],
Concrete Autoencoders (CAE) [34], XGBoost [12], and SEFS [4]. All methods except CAE rank
the features by their importance, which allows us to evaluate F-Actโ€™s ability to recommend
features for collection. We train each feature selection method on the prediction task, using a
simple MLP as a baseline for comparison.
   For missing data imputation, we evaluate four methods: Mean, Iterative Chained Equations
(ICE) [6], and MissForest [7]. Additionally, we assess the performance of all combinations of
downstream models and imputation methods.
   We train F-Act by minimising the loss ๐ฟ. We pre-train the reconstruction module following
[4], with tasks that include reconstructing input vectors and estimating gate vectors. Following
this, we tune the intervention number ๐‘˜ to minimise the prediction loss on the validation dataset.
  (a) Missing Completely at Random (MCAR)            (b) Collecting features by modelโ€™s feature ranking
Figure 2: Performance varies with the number of missing features at test-time; error bars represent
standard deviation. (a) When features are missing at random, several methods outperform F-Act. (b)
F-Act outperforms other methods when the features selected for collection at test-time are based on
the predictorโ€™s learned feature ranking. F-Act outperforms all baseline methods when many features
are missing. However, with fewer missing features, F-Act can be outperformed by XGBoost combined
with ICE. This indicates that F-Act is especially effective when feature collection can be prioritised.


For further implementation details, please refer to Appendix A.

Predictive Accuracy Table 1 illustrates the predictive accuracy of F-Act compared to other
benchmark methods. F-Act demonstrates competitive performance, consistently ranking in the
top three across datasets and outperforming all baselines in three cases. Overall, F-Act ranks
the best across datasets. However, besides making predictions, F-Act offers two additional
functionalities without any re-training: imputing missing data at test-time and recommending
which feature values to collect. We next explore these capabilities.

Test-time Imputation First, we evaluate F-Actโ€™s imputation capabilities when features are
missing completely at random (MCAR). To simulate this, we randomly remove features at
test-time (without considering the potential to collect these feature values). At low levels of
missing features, Figure 2a shows that F-Act is generally outperformed by Random Forest
and MLP, and at higher levels of missing values, it is outperformed by Lasso and MLP. These
mixed results suggest F-Act achieves relatively average performance when one cannot utilise
its learned feature ranking.
   Second, we consider prioritising test-time feature collection based on the modelโ€™s learned
feature ranking. Figure 2b shows that when this ranking is used, F-Act outperforms all other
methods with only a few features collected.

Test-Time Interventions As a feature selection method, F-Act uses a threshold to separate
core from non-core features. Unlike standard approaches, F-Act can incorporate non-core
Figure 3: Test-time interventions boost performance. The x-axis represents the number of interven-
tions. The dotted line marks the peak performance achieved by baselines trained with the full feature set,
whereas F-Act operates with only a subset. The results demonstrate that F-Actโ€™s performance improves
when values for the recommended features are imputed at test-time. In some cases, this enhancement
allows F-Act, without retraining, to surpass baselines that need the full feature set at test-time.


features during inference. Figure 3 illustrates that F-Actโ€™s performance improves with test-time
interventions, sometimes even surpassing the best-performing method on that dataset. For
more results, please see Appendix B.


5. Conclusion
This paper introduces F-Act, a method combining feature selection and missing data imputation
to enable the model to operate when there are missing features at test-time. More importantly,
F-Act provides recommendations of which features one should prioritise collecting at test-
time to improve the modelโ€™s performance. Our empirical analysis shows F-Act performs
competitively or better than previous baselines in inference tasks with missing features when
incorporating feature collection recommendations. Additionally, we show how F-Act can
incorporate missing feature values at test-time through test-time interventions, improving
performance without retraining and boosting F1 scores across datasets. This work highlights
the benefit of designing methods that learn, in an end-to-end fashion, to adapt to different
feature availability while providing feature collection recommendations.


References
 [1] M. H. A. Kohbalan Moorthy, C. W. H. Mohd Arfian Ismail, S. Mohd Saberi Mohamad, An
     evaluation of machine learning algorithms for missing values imputation, Internation-
     alJournal of Innovative Technology and Exploring Engineering 8 (2019) 415โ€“420.
 [2] S. D. Grosse, J. M. Gudgeon, Cost or price of sequencing? implications for economic
     evaluations in genomic medicine, Genetics in Medicine 23 (2021) 1833โ€“1835.
 [3] J. Cai, L. Fan, X. Xu, X. Wu, Unsupervised and supervised feature selection for incomplete
     data via l2, 1-norm and reconstruction error minimization, Applied Sciences 12 (2022)
     8752.
 [4] C. Lee, F. Imrie, M. van der Schaar, Self-supervision enhanced feature selection with
     correlated gates, in: International Conference on Learning Representations, 2022.
 [5] D. Jarrett, B. C. Cebere, T. Liu, A. Curth, M. van der Schaar, HyperImpute: Generalized
     iterative imputation with automatic model selection, in: K. Chaudhuri, S. Jegelka, L. Song,
     C. Szepesvari, G. Niu, S. Sabato (Eds.), Proceedings of the 39th International Conference
     on Machine Learning, volume 162 of Proceedings of Machine Learning Research, PMLR,
     2022, pp. 9916โ€“9937. URL: https://proceedings.mlr.press/v162/jarrett22a.html.
 [6] S. van Buuren, Multiple imputation of discrete and continuous data by fully conditional
     specification, Statistical Methods in Medical Research 16 (2007) 219โ€“242.
 [7] D. J. Stekhoven, P. Bรผhlmann, Missforestโ€“non-parametric missing value imputation for
     mixed-type data, Bioinformatics 28 (2012) 112โ€“118.
 [8] D. Bertsimas, A. Delarue, J. Pauphilet, Beyond impute-then-regress: Adapting prediction to
     missing data, ArXiv preprint abs/2104.03158 (2021). URL: https://arxiv.org/abs/2104.03158.
 [9] M. Le Morvan, J. Josse, T. Moreau, E. Scornet, G. Varoquaux, Neumiss networks: differ-
     entiable programming for supervised learning with missing values., Advances in Neural
     Information Processing Systems 33 (2020) 5980โ€“5990.
[10] V. Bolรณn-Canedo, N. Sรกnchez-Maroรฑo, A. Alonso-Betanzos, A review of feature selection
     methods on synthetic data, Knowledge and information systems 34 (2013) 483โ€“519.
[11] R. Tibshirani, Regression shrinkage and selection via the lasso, Journal of the Royal
     Statistical Society, Series B 58 (1996) 267โ€“288.
[12] T. Chen, C. Guestrin, Xgboost: A scalable tree boosting system, in: B. Krishnapuram,
     M. Shah, A. J. Smola, C. C. Aggarwal, D. Shen, R. Rastogi (Eds.), Proceedings of the 22nd
     ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, San
     Francisco, CA, USA, August 13-17, 2016, ACM, 2016, pp. 785โ€“794. URL: https://doi.org/10.
     1145/2939672.2939785. doi:10.1145/2939672.2939785.
[13] L. Breiman, Random forests, Machine Learning 45 (2001) 5โ€“32.
[14] I. C. Covert, W. Qiu, M. Lu, N. Y. Kim, N. J. White, S.-I. Lee, Learning to maximize
     mutual information for dynamic feature selection, in: A. Krause, E. Brunskill, K. Cho,
     B. Engelhardt, S. Sabato, J. Scarlett (Eds.), Proceedings of the 40th International Conference
     on Machine Learning, volume 202 of Proceedings of Machine Learning Research, PMLR,
     2023, pp. 6424โ€“6447. URL: https://proceedings.mlr.press/v202/covert23a.html.
[15] A. M. Sefidian, N. Daneshpour, Missing value imputation using a novel grey based fuzzy c-
     means, mutual information based feature selection, and regression model, Expert Systems
     with Applications 115 (2019) 68โ€“94. URL: https://www.sciencedirect.com/science/article/
     pii/S0957417418304822. doi:https://doi.org/10.1016/j.eswa.2018.07.057.
[16] G. Doquire, M. Verleysen, Feature selection with missing data using mutual information
     estimators, Neurocomputing 90 (2012) 3โ€“11.
[17] P. Meesad, K. Hengpraprohm, Combination of knn-based feature selection and knnbased
     missing-value imputation of microarray data, in: 2008 3rd International Conference on
     Innovative Computing Information and Control, 2008, pp. 341โ€“341. doi:10.1109/ICICIC.
     2008.635.
[18] M. Saar-Tsechansky, P. Melville, F. Provost, Active feature-value acquisition, Management
     Science 55 (2009) 664โ€“684.
[19] Y. Li, J. Oliva, Active feature acquisition with generative surrogate models, in: M. Meila,
     T. Zhang (Eds.), Proceedings of the 38th International Conference on Machine Learning,
     volume 139 of Proceedings of Machine Learning Research, PMLR, 2021, pp. 6450โ€“6459. URL:
     https://proceedings.mlr.press/v139/li21p.html.
[20] H. Shim, S. J. Hwang, E. Yang, Joint active feature acquisition and classification with
     variable-size set encoding, in: S. Bengio, H. M. Wallach, H. Larochelle, K. Grauman,
     N. Cesa-Bianchi, R. Garnett (Eds.), Advances in Neural Information Processing Systems
     31: Annual Conference on Neural Information Processing Systems 2018, NeurIPS 2018,
     December 3-8, 2018, Montrรฉal, Canada, 2018, pp. 1375โ€“1385. URL: https://proceedings.
     neurips.cc/paper/2018/hash/e5841df2166dd424a57127423d276bbe-Abstract.html.
[21] Y. Li, J. Oliva, Active feature acquisition with generative surrogate models, in: International
     Conference on Machine Learning, PMLR, 2021, pp. 6450โ€“6459.
[22] M. J. Azur, E. A. Stuart, C. Frangakis, P. J. Leaf, Multiple imputation by chained equations:
     what is it and how does it work?, International journal of methods in psychiatric research
     20 (2011) 40โ€“49.
[23] P. W. Koh, T. Nguyen, Y. S. Tang, S. Mussmann, E. Pierson, B. Kim, P. Liang, Concept
     bottleneck models, in: Proceedings of the 37th International Conference on Machine
     Learning, ICML 2020, 13-18 July 2020, Virtual Event, volume 119 of Proceedings of Machine
     Learning Research, PMLR, 2020, pp. 5338โ€“5348. URL: http://proceedings.mlr.press/v119/
     koh20a.html.
[24] M. Espinosa Zarlenga, P. Barbiero, G. Ciravegna, G. Marra, F. Giannini, M. Diligenti,
     Z. Shams, F. Precioso, S. Melacci, A. Weller, et al., Concept embedding models: Beyond the
     accuracy-explainability trade-off, Advances in Neural Information Processing Systems 35
     (2022) 21400โ€“21413.
[25] M. Espinosa Zarlenga, K. Collins, K. Dvijotham, A. Weller, Z. Shams, M. Jamnik, Learning
     to receive help: Intervention-aware concept embedding models, Advances in Neural
     Information Processing Systems 36 (2024).
[26] R. Marcinkeviฤs, S. Laguna, M. Vandenhirtz, J. E. Vogt, Beyond concept bottleneck models:
     How to make black boxes intervenable?, arXiv preprint arXiv:2401.13544 (2024).
[27] E. Jang, S. Gu, B. Poole, Categorical reparameterization with gumbel-softmax, arXiv
     preprint arXiv:1611.01144 (2016).
[28] A. Margeloiu, N. Simidjievski, P. Lio, M. Jamnik, Weight predictor network with feature
     selection for small sample tabular biomedical data, in: Proceedings of the AAAI Conference
     on Artificial Intelligence, volume 37, 2023, pp. 9081โ€“9089.
[29] J. Li, K. Cheng, S. Wang, F. Morstatter, R. P. Trevino, J. Tang, H. Liu, Feature selection: A
     data perspective, ACM Computing Surveys (CSUR) 50 (2018) 94.
[30] I. Guyon,          Madelon,      UCI Machine Learning Repository,                  2008. DOI:
     https://doi.org/10.24432/C5602H.
[31] A. Gayoso, Z. Steier, R. Lopez, J. Regier, K. L. Nazor, A. Streets, N. Yosef, Joint probabilistic
     modeling of paired transcriptome and proteome measurements in single cells, Biorxiv
     (2020) 2020โ€“05.
[32] C. Higuera, K. Gardiner, K. Cios, Mice protein expression, UCI Machine Learning Reposi-
     tory, 2015. DOI: https://doi.org/10.24432/C50S3Z.
[33] N. Carbone, 200+ financial indicators of us stocks (2014-2018), 2020. URL: https://www.
     kaggle.com/datasets/cnic92/200-financial-indicators-of-us-stocks-20142018.
[34] M. F. Balฤฑn, A. Abid, J. Zou, Concrete autoencoders: Differentiable feature selection and
     reconstruction, in: K. Chaudhuri, R. Salakhutdinov (Eds.), Proceedings of the 36th Interna-
     tional Conference on Machine Learning, volume 97 of Proceedings of Machine Learning
     Research, PMLR, 2019, pp. 444โ€“453. URL: https://proceedings.mlr.press/v97/balin19a.html.
[35] R. Salakhutdinov, Deep learning, in: S. A. Macskassy, C. Perlich, J. Leskovec, W. Wang,
     R. Ghani (Eds.), The 20th ACM SIGKDD International Conference on Knowledge Discovery
     and Data Mining, KDD โ€™14, New York, NY, USA - August 24 - 27, 2014, ACM, 2014, p. 1973.
     URL: https://doi.org/10.1145/2623330.2630809. doi:10.1145/2623330.2630809.
[36] I. R. White, P. Royston, A. M. Wood, Multiple imputation using chained equations: issues
     and guidance for practice, Statistics in medicine 30 (2011) 377โ€“399.



A. Reproducibility
A.1. Datasets

Table 2
Overview of Datasets
 Dataset             # samples   # features   # classes   N/D   min # samples    max # samples    Domain
                           (N)          (D)                          per class        per class
 COIL20 [29]             1440         1024          20      1              72               72    Image
 Finance [33]            2664          154           2     17            1195             1469    Financial indicators
 Isolet [29]             1560          617          26      3              60               60    Voice audio
 Madelon [30]            2600          500           2      5            1300             1300    Synthetic
 Mice Protein [32]       1080           77           8     14             105              150    Protein Expression
 PBMC [31]               1038        21932           2      0             514              524    Genomics
 USPS [29]               9298          256          10     36             708             1553    Image (written digit)




A.2. Reproducibility
Our code is made available at https://github.com/evanrex/feature-wise-active-adaptation.

A.3. Training Protocol
We present the training algorithm for our approach in Appendix A.3.

A.4. Training and Evaluation Methodology
We divided the datasets into three subsets: training, validation, and testing, using a 60:20:20
split. We use the validation to select the modelโ€™s hyperparameters. We evaluate and report the
class-weighted F1 score on the test set. The results are averaged across these seeds during both
Algorithm 1 Pre-training F-Act
Require: Dataset (X, Y), mini-batch size ๐‘›mb , learning rate ๐œ‚, Loss coefficient ๐›ผpre , mask
    probability ๐œ‹
Ensure: Trained model parameters ๐œƒ๐‘…
 1: Initialise parameters ๐œƒ๐‘… , ๐œƒpre
 2: repeat                                                                     โ— Begin pre-training loop
 3:     for ๐‘– = 1 to ๐‘›mb do                                         โ— For each point in the mini-batch
 4:          (x๐‘– , ๐‘ฆ๐‘– ) โˆผ (X, Y)                                                     โ— Sample a data point
 5:          mhard๐‘– โ† Bernoulli(๐œ‹)                             โ— Sample hard mask with probability ๐œ‹
 6:          x๐‘†๐‘– โ† mhard๐‘– โŠ™ x๐‘–                                    โ— Apply hard mask to the data point
 7:          x๐‘…๐‘– โ† ๐‘“๐‘… (x๐‘†๐‘– ; ๐œƒ๐‘… )                            โ— Reconstruct features from masked data
 8:          m^ hard๐‘– โ† ๐‘“pre (x๐‘†๐‘– ; ๐œƒpre )            โ— Predict mask using the pre-training function
 9:     end for
        ๐œƒ โ† ๐œƒ โˆ’ ๐œ‚โˆ‡๐œƒ ๐‘›๐‘–=1
                          โˆ‘๏ธ€ mb (๏ธ€                                                )๏ธ€
10:                                โ„’R (x๐‘†๐‘– , x๐‘…๐‘– ) + ๐›ผpre ยท CE(m^ hard๐‘– , mhard๐‘– ) โ— Update parameters
    using gradient descent
11: until convergence



hyperparameter tuning and final evaluation phases. We pre-train out model as per Appendix A.3
and train our model as per Algorithm 2.

A.5. Hyper-parameter Tuning
Random Forest. For the Random Forest model, we conducted a hyper-parameter sweep on
the max_depth parameter. The values considered for max_depth were {3, 5, 7}. This tuning
was performed to control the complexity of the individual trees in the forest, with a goal of
balancing the bias-variance tradeoff.
   Lasso. In our implementation of the Lasso model, we performed hyper-parameter tuning
on two key parameters: l1_ratio and C. The l1_ratio was varied over {0, 0.25, 0.5, 0.75, 1},
allowing us to explore the impact of the ElasticNet mixing parameter which adjusts the balance
between L1 and L2 penalties. The C parameter, which controls the inverse of regularisation
strength, was swept over {10, 100, 1000}, providing a wide range of regularisation effects.
   XGBoost. For the XGBoost model, we focused our hyper-parameter sweep on the eta
(learning rate) and max_depth. The eta values considered were {0.1, 0.3, 0.5}, providing a
spectrum of learning rates to control the step size during optimisation. For max_depth, the
values were {3, 6, 9}, allowing us to examine different depths for the trees to manage the modelโ€™s
complexity and prevent overfitting.
   Neural Network Based Models. For the neural network-based models, which include
MLP, SEFS, CAE, Supervised CAE, and F-Act, we conducted a hyper-parameter sweep. Key
parameters included learning rate, lr, ({1e-3, 3e-4, 1e-4}), number of hidden layers ({1, 2, 4}), and
dropout rates ({0, 0.2}). Additionally, for the Concrete Autoencoder models (CAE, Supervised
CAE), we swept the neurons_ratio over {0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0} to explore
various proportions of neurons in the encoder and decoder layers. This extensive tuning process
was aimed at optimising each of the methods architectures and regularisation techniques to
Algorithm 2 Training F-Act
Require: Dataset (X, Y), mini-batch size ๐‘›mb , loss coefficients (๐›ผ๐‘† , ๐›ผ๐‘… ), Gumbel-Softmax
    temperature parameter ๐œ , maximum intervention ๐‘˜max , learning rate ๐œ‚
Ensure: Trained model parameters (๐œƒ๐‘šsoft , ๐œƒ๐‘šhard , ๐œƒ๐‘… , ๐œƒ๐‘ƒ )
 1: Initialise (๐œƒ๐‘šsoft , ๐œƒ๐‘šhard , ๐œƒ๐‘… , ๐œƒ๐‘ƒ )                    โ— Initialise parameter weights randomly
 2: repeat
 3:     for ๐‘– = 1 to ๐‘› do                                          โ— For each sample in the training set
 4:          (x๐‘– , ๐‘ฆ๐‘– ) โˆผ (X, Y)                                                  โ— Sample a data point
          Mask the data
 5:          msoft โ† Sigmoid(๐œƒ๐‘šsoft )                                              โ— Compute soft mask
 6:          mhard โ† GumbelSoftmax(๐œƒ๐‘šhard , ๐œ )                                   โ— Compute hard mask
 7:          xฬƒ๐‘– โ† msoft โŠ™ x๐‘–                                            โ— Apply soft mask to input data
 8:          xฬƒ๐‘†๐‘– โ† mhard โŠ™ xฬƒ๐‘–                                 โ— Apply hard mask to soft-masked data
          Reconstruct the data, apply interventions, and make prediction
 9:          xฬƒ๐‘…๐‘– โ† ๐‘“๐‘… (xฬƒ๐‘†๐‘– ; ๐œƒ๐‘… )                             โ— Reconstruct the hard-masked features
10:          ๐‘ฆ^๐‘…๐‘– โ† ๐‘“๐‘ƒ (xฬƒ๐‘…๐‘– ; ๐œƒ๐‘ƒ )                             โ— Make prediction without intervention
11:          xฬƒ๐ผ๐‘– โ† ๐œ‡(xฬƒ๐‘…๐‘– , xฬƒ๐‘– ; ๐œƒ๐‘šhard , ๐‘˜max )                โ— Apply interventions on top features
12:          ๐‘ฆ^๐ผ๐‘– โ† ๐‘“๐‘ƒ (xฬƒ๐ผ๐‘– ; ๐œƒ๐‘ƒ )                            โ— Make prediction with full intervention
13:     end for
        ๐œƒ โ† ๐œƒ โˆ’ ๐œ‚โˆ‡๐œƒ ๐‘›๐‘–=1
                          โˆ‘๏ธ€ b (๏ธ€                        )๏ธ€
14:                                 โ„’(๐‘ฆ^๐‘…๐‘– , ๐‘ฆ^๐ผ๐‘– , y๐‘– )    โ— Update parameters using gradient descent
15: until convergence



enhance model performance


B. Further Experiments and Discussion
B.1. Test-time Imputation
B.1.1. Further Discussion
In Figure 2b, we observe the interesting phenomenon that at low levels of missing data, ICE
imputation enables the tree-based models to achieve considerably improved performance.
Concurrently, ICE negatively affects the Neural Network and Lasso models. Here, we discuss
that phenomenon. Note that, as per the structure of the experiment, the missing features at
those levels are relatively lower-ranked features which have less impact on predictions in the
case of tree-based models. One possible explanation for the increase in performance of the
tree-based models, is that they were initially negatively affected by over-fitting to noise in the
lower-ranked features. As a result, the models might benefit from the removal of these features
in the test set. This then explains why replacing the lower-ranked features with expected values
conditioned by the other observed features of that data point (as per the ICE imputation strategy
[22]) would reduce their noisy impact. To explain the poor performance of ICE with the Neural
Network-based and Lasso models, we note that those models are known to be more sensitive
to scale and domain shift [35]. We also note that ICE is known to suffer from misspecification
Table 3
F1 Weighted Averages. Comparing F-Act, which uses an โ€œoptimal feature selectionโ€ found through
post-training hyperparameter tuning of the number of interventions, to F-Act "selected only", which
uses a feature selection made from thresholding the feature selection probabilities as 50%.
              Partition           Validation         Validation           Test             Test
              Model          F-Act (selected only)     F-Act      F-Act (selected only)   F-Act
   Dataset    COIL20                0.9929            0.9953             0.9860           0.9884
              Isolet                0.9264            0.9430             0.9197           0.9286
              PBMC                  0.8461            0.8793             0.8317           0.8987
              USPS                  0.9681            0.9681             0.9683           0.9683
              Finance               0.5992            0.6027             0.6029           0.5981
              Madelon               0.7287            0.7415             0.7225           0.7290
              Mice Protein          0.9815            0.9908             0.9877           0.9846



[36], where imputed values are โ€œimplausibleโ€, falling out of the domain.

B.2. Optimal feature availability
The adaptive nature of our model enables the ability to provide a more finely tuned optimal
feature selection recommendation than the standard โ€œselectedโ€ vs โ€œnon-selectedโ€ features
dichotomy. Rather than being derived from what is typically an arbitrarily set threshold, we
are able to tune the number of selected features without re-training. By contrast, to implement
feature selection with methods such as Lasso it is standard to re-train the model with the
reduced feature set. In this section, we hypothesise that this functionality will enable improved
performance, due to the ability to more finely tune the number of selected features.
   The โ€œoptimal feature selectionโ€ is found through post-training hyperparameter tuning of
the number of interventions, ๐‘˜. That is, we evaluate the model at varying degrees of test-time
interventions on the validation set, and then set this as the number of features used by the
model. In Table 3, we present the results of this approach. In the table, we compare F-Act,
which uses post-training hyperparameter tuning of ๐‘˜, to F-Act โ€œselected onlyโ€, which only
uses only the selected features. We find that in most datasets, this enables an improvement
over the โ€œselected onlyโ€ variant of the model. Exceptions include the finance and mice protein
datasets, where F-Act โ€œselected onlyโ€ outperforms F-Act 0.005,แฟพ     which is within the standard
deviation of our modelโ€™s F1 score for those datasets. However, on other datasets, such as PBMC,
the improvement of F-Act over F-Act "selected only" is rather notably greater than twice the
standard deviation. Overall we find that the difference in average F1 score falls within the
standard deviation of the model, indicating that the potential gains for this mechanism are
limited, however the substantial gains on the PBMC dataset, as well as the small computational
costs associated with its implementation, indicate that the mechanism is worth exploring when
deploying F-Act.