Machine learning (ML) solutions are prevalent in many applications. However, many challenges exist in making these solutions business-grade. For instance, maintaining the error rate of the underlying ML models at an acceptably low level. Typically, the true relationship between feature inputs and the target feature to be predicted is uncertain, and hence statistical in nature. The approach we propose is to separate the observations that are the most likely to be predicted incorrectly into 'attention sets'. These can directly aid model diagnosis and improvement, and be used to decide on alternative courses of action for these problematic observations. We present several algorithms (`strategies') for determining optimal rules to separate these observations. In particular, we prefer strategies that use feature-based slicing because they are human-interpretable, model-agnostic, and require minimal supplementary inputs or knowledge. In addition, we show that these strategies outperform several common baselines, such as selecting observations with prediction confidence below a threshold. To evaluate strategies, we introduce metrics to measure various desired qualities, such as their performance, stability, and generalizability to unseen data; the strategies are evaluated on several publicly-available datasets. We use TOPSIS, a Multiple Criteria Decision Making method, to aggregate these metrics into a single quality score for each strategy, to allow comparison.
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機器學習（Machine Learning）是一個研究計算學習方法的國際論壇。該雜志發表文章，報告廣泛的學習方法應用于各種學習問題的實質性結果。該雜志的特色論文描述研究的問題和方法，應用研究和研究方法的問題。有關學習問題或方法的論文通過實證研究、理論分析或與心理現象的比較提供了堅實的支持。應用論文展示了如何應用學習方法來解決重要的應用問題。研究方法論文改進了機器學習的研究方法。所有的論文都以其他研究人員可以驗證或復制的方式描述了支持證據。論文還詳細說明了學習的組成部分，并討論了關于知識表示和性能任務的假設。
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Ongoing advances in force field and computer hardware development enable the use of molecular dynamics (MD) to simulate increasingly complex systems with the ultimate goal of reaching cellular complexity. At the same time, rational design by high-throughput (HT) simulations is another forefront of MD. In these areas, the Martini coarse-grained force field, especially the latest version (i.e. v3), is being actively explored because it offers enhanced spatial-temporal resolution. However, the automation tools for preparing simulations with the Martini force field, accompanying the previous version, were not designed for HT simulations or studies of complex cellular systems. Therefore, they become a major limiting factor. To address these shortcomings, we present the open-source Vermouth python library. Vermouth is designed to become the unified framework for developing programs, which prepare, run, and analyze Martini simulations of complex systems. To demonstrate the power of the Vermouth library, the Martinize2 program is showcased as a generalization of the martinize script, originally aimed to set up simulations of proteins. In contrast to the previous version, Martinize2 automatically handles protonation states in proteins and post-translation modifications, offers more options to fine-tune structural biases such as the elastic network, and can convert non-protein molecules such as ligands. Finally, Martinize2 is used in two high-complexity benchmarks. The entire I-TASSER protein template database as well as a subset of 200,000 structures from the AlphaFold Protein Structure Database are converted to CG resolution and we illustrate how the checks on input structure quality can safeguard high-throughput applications.
High-end components that conduct complicated tasks automatically are a part of modern industrial systems. However, in order for these parts to function at the desired level, they need to be maintained by qualified experts. Solutions based on Augmented Reality (AR) have been established with the goal of raising production rates and quality while lowering maintenance costs. With the introduction of two unique interaction interfaces based on wearable targets and human face orientation, we are proposing hands-free advanced interactive solutions in this study with the goal of reducing the bias towards certain users. Using traditional devices in real time, a comparison investigation using alternative interaction interfaces is conducted. The suggested solutions are supported by various AI powered methods such as novel gravity-map based motion adjustment that is made possible by predictive deep models that reduce the bias of traditional hand- or finger-based interaction interfaces
Most Artificial Intelligence applications are based on supervised machine learning (ML), which ultimately grounds on manually annotated data. The annotation process is often performed in terms of a majority vote and this has been proved to be often problematic, as highlighted by recent studies on the evaluation of ML models. In this article we describe and advocate for a different paradigm, which we call data perspectivism, which moves away from traditional gold standard datasets, towards the adoption of methods that integrate the opinions and perspectives of the human subjects involved in the knowledge representation step of ML processes. Drawing on previous works which inspired our proposal we describe the potential of our proposal for not only the more subjective tasks (e.g. those related to human language) but also to tasks commonly understood as objective (e.g. medical decision making), and present the main advantages of adopting a perspectivist stance in ML, as well as possible disadvantages, and various ways in which such a stance can be implemented in practice. Finally, we share a set of recommendations and outline a research agenda to advance the perspectivist stance in ML.
There is a longstanding interest in capturing the error behaviour of object detectors by finding images where their performance is likely to be unsatisfactory. In real-world applications such as autonomous driving, it is also crucial to characterise potential failures beyond simple requirements of detection performance. For example, a missed detection of a pedestrian close to an ego vehicle will generally require closer inspection than a missed detection of a car in the distance. The problem of predicting such potential failures at test time has largely been overlooked in the literature and conventional approaches based on detection uncertainty fall short in that they are agnostic to such fine-grained characterisation of errors. In this work, we propose to reformulate the problem of finding "hard" images as a query-based hard image retrieval task, where queries are specific definitions of "hardness", and offer a simple and intuitive method that can solve this task for a large family of queries. Our method is entirely post-hoc, does not require ground-truth annotations, is independent of the choice of a detector, and relies on an efficient Monte Carlo estimation that uses a simple stochastic model in place of the ground-truth. We show experimentally that it can be applied successfully to a wide variety of queries for which it can reliably identify hard images for a given detector without any labelled data. We provide results on ranking and classification tasks using the widely used RetinaNet, Faster-RCNN, Mask-RCNN, and Cascade Mask-RCNN object detectors. The code for this project is available at //github.com/fiveai/hardest.
In this paper, both empirically and theoretically, we show that several AI-text detectors are not reliable in practical scenarios. Empirically, we show that paraphrasing attacks, where a light paraphraser is applied on top of a large language model (LLM), can break a whole range of detectors, including ones using watermarking schemes as well as neural network-based detectors and zero-shot classifiers. Our experiments demonstrate that retrieval-based detectors, designed to evade paraphrasing attacks, are still vulnerable to recursive paraphrasing. We then provide a theoretical impossibility result indicating that as language models become more sophisticated and better at emulating human text, the performance of even the best-possible detector decreases. For a sufficiently advanced language model seeking to imitate human text, even the best-possible detector may only perform marginally better than a random classifier. Our result is general enough to capture specific scenarios such as particular writing styles, clever prompt design, or text paraphrasing. We also extend the impossibility result to include the case where pseudorandom number generators are used for AI-text generation instead of true randomness. We show that the same result holds with a negligible correction term for all polynomial-time computable detectors. Finally, we show that even LLMs protected by watermarking schemes can be vulnerable against spoofing attacks where adversarial humans can infer hidden LLM text signatures and add them to human-generated text to be detected as text generated by the LLMs, potentially causing reputational damage to their developers. We believe these results can open an honest conversation in the community regarding the ethical and reliable use of AI-generated text.
Recent results of machine learning for automatic vulnerability detection have been very promising indeed: Given only the source code of a function $f$, models trained by machine learning techniques can decide if $f$ contains a security flaw with up to 70% accuracy. But how do we know that these results are general and not specific to the datasets? To study this question, researchers proposed to amplify the testing set by injecting semantic preserving changes and found that the model's accuracy significantly drops. In other words, the model uses some unrelated features during classification. In order to increase the robustness of the model, researchers proposed to train on amplified training data, and indeed model accuracy increased to previous levels. In this paper, we replicate and continue this investigation, and provide an actionable model benchmarking methodology to help researchers better evaluate advances in machine learning for vulnerability detection. Specifically, we propose (i) a cross validation algorithm, where a semantic preserving transformation is applied during the amplification of either the training set or the testing set, and (ii) the amplification of the testing set with code snippets where the vulnerabilities are fixed. Using 11 transformations, 3 ML techniques, and 2 datasets, we find that the improved robustness only applies to the specific transformations used during training data amplification. In other words, the robustified models still rely on unrelated features for predicting the vulnerabilities in the testing data. Additionally, we find that the trained models are unable to generalize to the modified setting which requires to distinguish vulnerable functions from their patches.
Despite significant advancements in existing models, generating text descriptions from structured data input, known as data-to-text generation, remains a challenging task. In this paper, we propose a novel approach that goes beyond traditional one-shot generation methods by introducing a multi-step process consisting of generation, verification, and correction stages. Our approach, VCP(Verification and Correction Prompting), begins with the model generating an initial output. We then proceed to verify the correctness of different aspects of the generated text. The observations from the verification step are converted into a specialized error-indication prompt, which instructs the model to regenerate the output while considering the identified errors. To enhance the model's correction ability, we have developed a carefully designed training procedure. This procedure enables the model to incorporate feedback from the error-indication prompt, resulting in improved output generation. Through experimental results, we demonstrate that our approach effectively reduces slot error rates while maintaining the overall quality of the generated text.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
Our experience of the world is multimodal - we see objects, hear sounds, feel texture, smell odors, and taste flavors. Modality refers to the way in which something happens or is experienced and a research problem is characterized as multimodal when it includes multiple such modalities. In order for Artificial Intelligence to make progress in understanding the world around us, it needs to be able to interpret such multimodal signals together. Multimodal machine learning aims to build models that can process and relate information from multiple modalities. It is a vibrant multi-disciplinary field of increasing importance and with extraordinary potential. Instead of focusing on specific multimodal applications, this paper surveys the recent advances in multimodal machine learning itself and presents them in a common taxonomy. We go beyond the typical early and late fusion categorization and identify broader challenges that are faced by multimodal machine learning, namely: representation, translation, alignment, fusion, and co-learning. This new taxonomy will enable researchers to better understand the state of the field and identify directions for future research.
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