The use of machine learning for material property prediction and discovery has traditionally centered on graph neural networks that incorporate the geometric configuration of all atoms. However, in practice not all this information may be readily available, e.g. when evaluating the potentially unknown binding of adsorbates to catalyst. In this paper, we investigate whether it is possible to predict a system's relaxed energy in the OC20 dataset while ignoring the relative position of the adsorbate with respect to the electro-catalyst. We consider SchNet, DimeNet++ and FAENet as base architectures and measure the impact of four modifications on model performance: removing edges in the input graph, pooling independent representations, not sharing the backbone weights and using an attention mechanism to propagate non-geometric relative information. We find that while removing binding site information impairs accuracy as expected, modified models are able to predict relaxed energies with remarkably decent MAE. Our work suggests future research directions in accelerated materials discovery where information on reactant configurations can be reduced or altogether omitted.

Counterfactually-Augmented Data (CAD) -- minimal editing of sentences to flip the corresponding labels -- has the potential to improve the Out-Of-Distribution (OOD) generalization capability of language models, as CAD induces language models to exploit domain-independent causal features and exclude spurious correlations. However, the empirical results of CAD's OOD generalization are not as efficient as anticipated. In this study, we attribute the inefficiency to the myopia phenomenon caused by CAD: language models only focus on causal features that are edited in the augmentation operation and exclude other non-edited causal features. Therefore, the potential of CAD is not fully exploited. To address this issue, we analyze the myopia phenomenon in feature space from the perspective of Fisher's Linear Discriminant, then we introduce two additional constraints based on CAD's structural properties (dataset-level and sentence-level) to help language models extract more complete causal features in CAD, thereby mitigating the myopia phenomenon and improving OOD generalization capability. We evaluate our method on two tasks: Sentiment Analysis and Natural Language Inference, and the experimental results demonstrate that our method could unlock the potential of CAD and improve the OOD generalization performance of language models by 1.0% to 5.9%.

Automatic speech recognition (ASR) systems are known to be sensitive to the sociolinguistic variability of speech data, in which gender plays a crucial role. This can result in disparities in recognition accuracy between male and female speakers, primarily due to the under-representation of the latter group in the training data. While in the context of hybrid ASR models several solutions have been proposed, the gender bias issue has not been explicitly addressed in end-to-end neural architectures. To fill this gap, we propose a data augmentation technique that manipulates the fundamental frequency (f0) and formants. This technique reduces the data unbalance among genders by simulating voices of the under-represented female speakers and increases the variability within each gender group. Experiments on spontaneous English speech show that our technique yields a relative WER improvement up to 9.87% for utterances by female speakers, with larger gains for the least-represented f0 ranges.

The rapid evolution of deep learning has significantly advanced the field of medical image analysis. However, despite these achievements, the further enhancement of deep learning models for medical image analysis faces a significant challenge due to the scarcity of large, well-annotated datasets. To address this issue, recent years have witnessed a growing emphasis on the development of data-efficient deep learning methods. This paper conducts a thorough review of data-efficient deep learning methods for medical image analysis. To this end, we categorize these methods based on the level of supervision they rely on, encompassing categories such as no supervision, inexact supervision, incomplete supervision, inaccurate supervision, and only limited supervision. We further divide these categories into finer subcategories. For example, we categorize inexact supervision into multiple instance learning and learning with weak annotations. Similarly, we categorize incomplete supervision into semi-supervised learning, active learning, and domain-adaptive learning and so on. Furthermore, we systematically summarize commonly used datasets for data efficient deep learning in medical image analysis and investigate future research directions to conclude this survey.

The increasing ubiquity of language technology necessitates a shift towards considering cultural diversity in the machine learning realm, particularly for subjective tasks that rely heavily on cultural nuances, such as Offensive Language Detection (OLD). Current understanding underscores that these tasks are substantially influenced by cultural values, however, a notable gap exists in determining if cultural features can accurately predict the success of cross-cultural transfer learning for such subjective tasks. Addressing this, our study delves into the intersection of cultural features and transfer learning effectiveness. The findings reveal that cultural value surveys indeed possess a predictive power for cross-cultural transfer learning success in OLD tasks and that it can be further improved using offensive word distance. Based on these results, we advocate for the integration of cultural information into datasets. Additionally, we recommend leveraging data sources rich in cultural information, such as surveys, to enhance cultural adaptability. Our research signifies a step forward in the quest for more inclusive, culturally sensitive language technologies.

Symbolic regression (SR) describes the task of finding a symbolic function that accurately represents the connection between given input and output data. At the same time, the function should be as simple as possible to ensure robustness against noise and interpretability. This is of particular interest for applications where the aim is to (mathematically) analyze the resulting function afterward or get further insights into the process to ensure trustworthiness, for instance, in physical or chemical sciences (Quade et al., 2016; Angelis et al., 2023; Wang et al., 2019). The range of possible applications of SR is therefore vast, from predicting the dynamics of ecosystems (Chen et al., 2019), forecasting the solar power for energy production (Quade et al., 2016), estimating the development of financial markets (Liu and Guo, 2023), analyzing the stability of certain materials (He and Zhang, 2021) to planning optimal trajectories for robots (Oplatkova and Zelinka, 2007), to name but a few. Moreover, as Angelis et al. (2023) points out, the number of papers on SR has increased significantly in recent years, highlighting the relevance and research interest in this area. SR is a specific regression task in machine learning that aims to find an accurate model without any assumption by the user related to the specific data set.

Large language models are typically aligned with human preferences by optimizing $\textit{reward models}$ (RMs) fitted to human feedback. However, human preferences are multi-faceted, and it is increasingly common to derive reward from a composition of simpler reward models which each capture a different aspect of language quality. This itself presents a challenge, as it is difficult to appropriately weight these component RMs when combining them. Compounding this difficulty, because any RM is only a proxy for human evaluation, this process is vulnerable to $\textit{overoptimization}$, wherein past a certain point, accumulating higher reward is associated with worse human ratings. In this paper, we perform, to our knowledge, the first study on overoptimization in composite RMs, showing that correlation between component RMs has a significant effect on the locations of these points. We then introduce an approach to solve this issue using constrained reinforcement learning as a means of preventing the agent from exceeding each RM's threshold of usefulness. Our method addresses the problem of weighting component RMs by learning dynamic weights, naturally expressed by Lagrange multipliers. As a result, each RM stays within the range at which it is an effective proxy, improving evaluation performance. Finally, we introduce an adaptive method using gradient-free optimization to identify and optimize towards these points during a single run.

While large language models (LLMs) have shown impressive results for more objective tasks such as QA and retrieval, it remains nontrivial to evaluate their performance on open-ended text generation for reasons including (1) data contamination; (2) multi-dimensional evaluation criteria; and (3) subjectiveness stemming from reviewers' personal preferences. To address such issues, we propose to model personalization in an uncontaminated open-ended generation assessment. We create two new datasets Per-MPST and Per-DOC for personalized story evaluation, by re-purposing existing datasets with proper anonymization and new personalized labels. SE to infer reviewer preferences and provide a personalized evaluation. SE predicts either a detailed review or fine-grained comparison in several aspects (such as interestingness and surprise) for that reviewer on a new text input. SE outperforms GPT-4 by 15.8% on Kendall correlation of story ratings, and by 13.7% on pairwise preference prediction accuracy. Both datasets and code will be released. LLMs' abilities in open-ended text generation are still insufficiently Meanwhile, some recent metrics propose to directly use strong LLMs as evaluators (Fu et al., 2023; Liu et al., Besides, the contamination problem may affect the evaluation performance, similar to other tasks (Chang et al., 2023). Human evaluation is also widely used in open-ended text generation. However, it may be timeconsuming and expensive, especially for larger-scale evaluation. This personalization issue in text generation has recently attracted increasing attention (Flek, 2020; Dudy et al., 2021), but personalization in evaluation is still under-explored. In this paper, we explore personalized evaluation for long-form story generation, where the assessment is heavily influenced by reviewers' personal preferences. For example, Figure 1 illustrates two reviewers' opinions when comparing two plots derived from the same premise. Reviewer 1 prefers Plot A for its uplifting ending while Reviewer 2 favors Plot B because of the plot complexity and empathetic ending. To model such diverse preferences in story evaluation, the major difficulty lies in the following aspects: personalization story evaluation dataset modeling, i.e., uncontaminated story datasets with personal information, and reviewer preference modeling, i.e., effective methods to capture reviewer preferences and evaluate stories from a particular individual's perspective. Few story evaluation datasets have personal labels due to the difficulty of collecting personal information. Besides, most existing story datasets have been exposed to LLMs.

Photoplethysmogram (PPG) signals are easily contaminated by motion artifacts in real-world settings, despite their widespread use in Internet-of-Things (IoT) based wearable and smart health devices for cardiovascular health monitoring. This study proposed a lightweight deep neural network, called Tiny-PPG, for accurate and real-time PPG artifact segmentation on IoT edge devices. The model was trained and tested on a public dataset, PPG DaLiA, which featured complex artifacts with diverse lengths and morphologies during various daily activities of 15 subjects using a watch-type device (Empatica E4). The model structure, training method and loss function were specifically designed to balance detection accuracy and speed for real-time PPG artifact detection in resource-constrained embedded devices. To optimize the model size and capability in multi-scale feature representation, the model employed depth-wise separable convolution and atrous spatial pyramid pooling modules, respectively. Additionally, the contrastive loss was also utilized to further optimize the feature embeddings. With additional model pruning, Tiny-PPG achieved state-of-the-art detection accuracy of 87.4% while only having 19,726 model parameters (0.15 megabytes), and was successfully deployed on an STM32 embedded system for real-time PPG artifact detection. Therefore, this study provides an effective solution for resource-constraint IoT smart health devices in PPG artifact detection.

In the field of semi-supervised medical image segmentation, the shortage of labeled data is the fundamental problem. How to effectively learn image features from unlabeled images to improve segmentation accuracy is the main research direction in this field. Traditional self-training methods can partially solve the problem of insufficient labeled data by generating pseudo labels for iterative training. However, noise generated due to the model's uncertainty during training directly affects the segmentation results. Therefore, we added sample-level and pixel-level uncertainty to stabilize the training process based on the self-training framework. Specifically, we saved several moments of the model during pre-training, and used the difference between their predictions on unlabeled samples as the sample-level uncertainty estimate for that sample. Then, we gradually add unlabeled samples from easy to hard during training. At the same time, we added a decoder with different upsampling methods to the segmentation network and used the difference between the outputs of the two decoders as pixel-level uncertainty. In short, we selectively retrained unlabeled samples and assigned pixel-level uncertainty to pseudo labels to optimize the self-training process. We compared the segmentation results of our model with five semi-supervised approaches on the public 2017 ACDC dataset and 2018 Prostate dataset. Our proposed method achieves better segmentation performance on both datasets under the same settings, demonstrating its effectiveness, robustness, and potential transferability to other medical image segmentation tasks. Keywords: Medical image segmentation, semi-supervised learning, self-training, uncertainty estimation