nils-herrmann/clean_scirepeval huggingface dataset:
Lift Up and Act! Classifier Performance in Resource-Constrained Applications

Classification tasks are common across many fields and applications where the decision maker's action is limited by resource constraints. In direct marketing only a subset of customers is contacted; scarce human resources limit the number of interviews to the most promising job candidates; limited donated organs are prioritized to those with best fit. In such scenarios, performance measures such as the classification matrix, ROC analysis, and even ranking metrics such as AUC measures outcomes different from the action of interest. At the same time, gains and lift that do measure the relevant outcome are rarely used by machine learners. In this paper we define resource-constrained classifier performance as a task distinguished from classification and ranking. We explain how gains and lift can lead to different algorithm choices and discuss the effect of class distribution.
Clinical Concept Extraction for Document-Level Coding

The text of clinical notes can be a valuable source of patient information and clinical assessments. Historically, the primary approach for exploiting clinical notes has been information extraction: linking spans of text to concepts in a detailed domain ontology. However, recent work has demonstrated the potential of supervised machine learning to extract document-level codes directly from the raw text of clinical notes. We propose to bridge the gap between the two approaches with two novel syntheses: (1) treating extracted concepts as features, which are used to supplement or replace the text of the note; (2) treating extracted concepts as labels, which are used to learn a better representation of the text. Unfortunately, the resulting concepts do not yield performance gains on the document-level clinical coding task. We explore possible explanations and future research directions.
A Novel Modeling Approach for All-Dielectric Metasurfaces Using Deep Neural Networks

Metasurfaces have become a promising means for manipulating optical wavefronts in flat and high-performance optical devices. Conventional metasurface device design relies on trial-and-error methods to obtain target electromagnetic (EM) response, an approach that demands significant efforts to investigate the enormous number of possible meta-atom structures. In this paper, a deep neural network approach is introduced that significantly improves on both speed and accuracy compared to techniques currently used to assemble metasurface-based devices. Our neural network approach overcomes three key challenges that have limited previous neural-network-based design schemes: input/output vector dimensional mismatch, accurate EM-wave phase prediction, as well as adaptation to 3-D dielectric structures, and can be generically applied to a wide variety of metasurface device designs across the entire electromagnetic spectrum. Using this new methodology, examples of neural networks capable of producing on-demand designs for meta-atoms, metasurface filters, and phase-change reconfigurable metasurfaces are demonstrated.
Physical implementation of quantum nonparametric learning with trapped ions

Nonparametric learning is able to make reliable predictions by extracting information from similarities between a new set of input data and all samples. Here we point out a quantum paradigm of nonparametric learning that offers an exponential speedup over the sample size. By encoding data into quantum feature space, the similarity between the data is defined as an inner product of quantum states. A quantum training state is introduced to superpose all data of samples, encoding relevant information for learning in its bipartite entanglement spectrum. We demonstrate that a trained state for prediction can be obtained by entanglement spectrum transformation, using the quantum matrix toolbox. We further work out a feasible protocol to implement the quantum nonparametric learning with trapped ions, and demonstrate the power of quantum superposition for machine learning.
Optimal Off-Policy Evaluation for Reinforcement Learning with Marginalized Importance Sampling

Motivated by the many real-world applications of reinforcement learning (RL) that require safe-policy iterations, we consider the problem of off-policy evaluation (OPE) -- the problem of evaluating a new policy using the historical data obtained by different behavior policies -- under the model of nonstationary episodic Markov Decision Processes (MDP) with a long horizon and a large action space. Existing importance sampling (IS) methods often suffer from large variance that depends exponentially on the RL horizon $H$. To solve this problem, we consider a marginalized importance sampling (MIS) estimator that recursively estimates the state marginal distribution for the target policy at every step. MIS achieves a mean-squared error of $$ \frac{1}{n} \sum\nolimits_{t=1}^H\mathbb{E}_{\mu}\left[\frac{d_t^\pi(s_t)^2}{d_t^\mu(s_t)^2} \mathrm{Var}_{\mu}\left[\frac{\pi_t(a_t|s_t)}{\mu_t(a_t|s_t)}\big( V_{t+1}^\pi(s_{t+1}) + r_t\big) \middle| s_t\right]\right] + \tilde{O}(n^{-1.5}) $$ where $\mu$ and $\pi$ are the logging and target policies, $d_t^{\mu}(s_t)$ and $d_t^{\pi}(s_t)$ are the marginal distribution of the state at $t$th step, $H$ is the horizon, $n$ is the sample size and $V_{t+1}^\pi$ is the value function of the MDP under $\pi$. The result matches the Cramer-Rao lower bound in \citet{jiang2016doubly} up to a multiplicative factor of $H$. To the best of our knowledge, this is the first OPE estimation error bound with a polynomial dependence on $H$. Besides theory, we show empirical superiority of our method in time-varying, partially observable, and long-horizon RL environments.
Making Targeted Black-box Evasion Attacks Effective and Efficient

We investigate how an adversary can optimally use its query budget for targeted evasion attacks against deep neural networks in a black-box setting. We formalize the problem setting and systematically evaluate what benefits the adversary can gain by using substitute models. We show that there is an exploration-exploitation tradeoff in that query efficiency comes at the cost of effectiveness. We present two new attack strategies for using substitute models and show that they are as effective as previous "query-only'' techniques but require significantly fewer queries, by up to three orders of magnitude. We also show that an agile adversary capable of switching through different attack techniques can achieve pareto-optimal efficiency. We demonstrate our attack against Google Cloud Vision showing that the difficulty of targeted black-box attacks against real-world prediction APIs is significantly easier than previously thought (requiring ≈500 queries instead of ≈20,000 as in previous work).
Effective Use of Variational Embedding Capacity in Expressive End-to-End Speech Synthesis

Recent work has explored sequence-to-sequence latent variable models for expressive speech synthesis (supporting control and transfer of prosody and style), but has not presented a coherent framework for understanding the trade-offs between the competing methods. In this paper, we propose embedding capacity (the amount of information the embedding contains about the data) as a unified method of analyzing the behavior of latent variable models of speech, comparing existing heuristic (non-variational) methods to variational methods that are able to explicitly constrain capacity using an upper bound on representational mutual information. In our proposed model (Capacitron), we show that by adding conditional dependencies to the variational posterior such that it matches the form of the true posterior, the same model can be used for high-precision prosody transfer, text-agnostic style transfer, and generation of natural-sounding prior samples. For multi-speaker models, Capacitron is able to preserve target speaker identity during inter-speaker prosody transfer and when drawing samples from the latent prior. Lastly, we introduce a method for decomposing embedding capacity hierarchically across two sets of latents, allowing a portion of the latent variability to be specified and the remaining variability sampled from a learned prior. Audio examples are available on the web.
A Two-Step Graph Convolutional Decoder for Molecule Generation

We propose a simple auto-encoder framework for molecule generation. The molecular graph is first encoded into a continuous latent representation $z$, which is then decoded back to a molecule. The encoding process is easy, but the decoding process remains challenging. In this work, we introduce a simple two-step decoding process. In a first step, a fully connected neural network uses the latent vector $z$ to produce a molecular formula, for example CO$_2$ (one carbon and two oxygen atoms). In a second step, a graph convolutional neural network uses the same latent vector $z$ to place bonds between the atoms that were produced in the first step (for example a double bond will be placed between the carbon and each of the oxygens). This two-step process, in which a bag of atoms is first generated, and then assembled, provides a simple framework that allows us to develop an efficient molecule auto-encoder. Numerical experiments on basic tasks such as novelty, uniqueness, validity and optimized chemical property for the 250k ZINC molecules demonstrate the performances of the proposed system. Particularly, we achieve the highest reconstruction rate of 90.5\%, improving the previous rate of 76.7\%. We also report the best property improvement results when optimization is constrained by the molecular distance between the original and generated molecules.
News Labeling as Early as Possible: Real or Fake?

Differentiating between real and fake news propagation through online social networks is an important issue in many applications. The time gap between the news release time and detection of its label is a significant step towards broadcasting the real information and avoiding the fake. Therefore, one of the challenging tasks in this area is to identify fake and real news in early stages of propagation. However, there is a tradeoff between minimizing the time gap and maximizing accuracy. Despite recent efforts in detection of fake news, there has been no significant work that explicitly incorporates early detection in its model. The proposed method utilizes recurrent neural networks with a novel loss function, and a new stopping rule. Experiments on real datasets demonstrate the effectiveness of our model both in terms of early labelling and accuracy, compared to the state of the art baseline and models.
Strategies to architect AI Safety: Defense to guard AI from Adversaries

The impact of designing for security of AI is critical for humanity in the AI era. With humans increasingly becoming dependent upon AI, there is a need for neural networks that work reliably, inspite of Adversarial attacks. The vision for Safe and secure AI for popular use is achievable. To achieve safety of AI, this paper explores strategies and a novel deep learning architecture. To guard AI from adversaries, paper explores combination of 3 strategies: 
1. Introduce randomness at inference time to hide the representation learning from adversaries. 
2. Detect presence of adversaries by analyzing the sequence of inferences. 
3. Exploit visual similarity. 
To realize these strategies, this paper designs a novel architecture, Dynamic Neural Defense, DND. This defense has 3 deep learning architectural features: 
1. By hiding the way a neural network learns from exploratory attacks using a random computation graph, DND evades attack. 
2. By analyzing input sequence to cloud AI inference engine with LSTM, DND detects attack sequence. 
3. By inferring with visual similar inputs generated by VAE, any AI defended by DND approach does not succumb to hackers. 
Thus, a roadmap to develop reliable, safe and secure AI is presented.
Learning Radiative Transfer Models for Climate Change Applications in Imaging Spectroscopy

According to a recent investigation, an estimated 33-50% of the world's coral reefs have undergone degradation, believed to be as a result of climate change. A strong driver of climate change and the subsequent environmental impact are greenhouse gases such as methane. However, the exact relation climate change has to the environmental condition cannot be easily established. Remote sensing methods are increasingly being used to quantify and draw connections between rapidly changing climatic conditions and environmental impact. A crucial part of this analysis is processing spectroscopy data using radiative transfer models (RTMs) which is a computationally expensive process and limits their use with high volume imaging spectrometers. This work presents an algorithm that can efficiently emulate RTMs using neural networks leading to a multifold speedup in processing time, and yielding multiple downstream benefits.
Learning Individual Causal Effects from Networked Observational Data

The convenient access to observational data enables us to learn causal effects without randomized experiments. This research direction draws increasing attention in research areas such as economics, healthcare, and education. For example, we can study how a medicine (the treatment) causally affects the health condition (the outcome) of a patient using existing electronic health records. To validate causal effects learned from observational data, we have to control confounding bias -- the influence of variables which causally influence both the treatment and the outcome. Existing work along this line overwhelmingly relies on the unconfoundedness assumption that there do not exist unobserved confounders. However, this assumption is untestable and can even be untenable. In fact, an important fact ignored by the majority of previous work is that observational data can come with network information that can be utilized to infer hidden confounders. For example, in an observational study of the individual-level treatment effect of a medicine, instead of randomized experiments, the medicine is often assigned to each individual based on a series of factors. Some of the factors (e.g., socioeconomic status) can be challenging to measure and therefore become hidden confounders. Fortunately, the socioeconomic status of an individual can be reflected by whom she is connected in social networks. With this fact in mind, we aim to exploit the network information to recognize patterns of hidden confounders which would further allow us to learn valid individual causal effects from observational data. In this work, we propose a novel causal inference framework, the network deconfounder, which learns representations to unravel patterns of hidden confounders from the network information. Empirically, we perform extensive experiments to validate the effectiveness of the network deconfounder on various datasets.
Making Asynchronous Stochastic Gradient Descent Work for Transformers

Asynchronous stochastic gradient descent (SGD) converges poorly for Transformer models, so synchronous SGD has become the norm for Transformer training. This is unfortunate because asynchronous SGD is faster at raw training speed since it avoids waiting for synchronization. Moreover, the Transformer model is the basis for state-of-the-art models for several tasks, including machine translation, so training speed matters. To understand why asynchronous SGD under-performs, we blur the lines between asynchronous and synchronous methods. We find that summing several asynchronous updates, rather than applying them immediately, restores convergence behavior. With this method, the Transformer attains the same BLEU score 1.36 times as fast.
This Email Could Save Your Life: Introducing the Task of Email Subject Line Generation

Given the overwhelming number of emails, an effective subject line becomes essential to better inform the recipient of the email’s content. In this paper, we propose and study the task of email subject line generation: automatically generating an email subject line from the email body. We create the first dataset for this task and find that email subject line generation favor extremely abstractive summary which differentiates it from news headline generation or news single document summarization. We then develop a novel deep learning method and compare it to several baselines as well as recent state-of-the-art text summarization systems. We also investigate the efficacy of several automatic metrics based on correlations with human judgments and propose a new automatic evaluation metric. Our system outperforms competitive baselines given both automatic and human evaluations. To our knowledge, this is the first work to tackle the problem of effective email subject line generation.
Sentence Centrality Revisited for Unsupervised Summarization

Single document summarization has enjoyed renewed interest in recent years thanks to the popularity of neural network models and the availability of large-scale datasets. In this paper we develop an unsupervised approach arguing that it is unrealistic to expect large-scale and high-quality training data to be available or created for different types of summaries, domains, or languages. We revisit a popular graph-based ranking algorithm and modify how node (aka sentence) centrality is computed in two ways: (a) we employ BERT, a state-of-the-art neural representation learning model to better capture sentential meaning and (b) we build graphs with directed edges arguing that the contribution of any two nodes to their respective centrality is influenced by their relative position in a document. Experimental results on three news summarization datasets representative of different languages and writing styles show that our approach outperforms strong baselines by a wide margin.
Simultaneous Classification and Novelty Detection Using Deep Neural Networks

Deep neural networks have achieved great success in classification tasks during the last years. However, one major problem to the path towards artificial intelligence is the inability of neural networks to accurately detect novel class distributions and therefore, most of the classification algorithms proposed make the assumption that all classes are known prior to the training stage. In this work, we propose a methodology for training a neural network that allows it to efficiently detect novel class distributions without compromising much of its classification accuracy on the test examples of known classes. Experimental results on the CIFAR 100 and MiniImagenet data sets demonstrate the effectiveness of the proposed algorithm. The way this method was constructed also makes it suitable for training any classification algorithm that is based on Maximum Likelihood methods.
Domain Adaptive Dialog Generation via Meta Learning

Domain adaptation is an essential task in dialog system building because there are so many new dialog tasks created for different needs every day. Collecting and annotating training data for these new tasks is costly since it involves real user interactions. We propose a domain adaptive dialog generation method based on meta-learning (DAML). DAML is an end-to-end trainable dialog system model that learns from multiple rich-resource tasks and then adapts to new domains with minimal training samples. We train a dialog system model using multiple rich-resource single-domain dialog data by applying the model-agnostic meta-learning algorithm to dialog domain. The model is capable of learning a competitive dialog system on a new domain with only a few training examples in an efficient manner. The two-step gradient updates in DAML enable the model to learn general features across multiple tasks. We evaluate our method on a simulated dialog dataset and achieve state-of-the-art performance, which is generalizable to new tasks.
Inductive Logic Programming via Differentiable Deep Neural Logic Networks

We propose a novel paradigm for solving Inductive Logic Programming (ILP) problems via deep recurrent neural networks. This proposed ILP solver is designed based on differentiable implementation of the deduction via forward chaining. In contrast to the majority of past methods, instead of searching through the space of possible first-order logic rules by using some restrictive rule templates, we directly learn the symbolic logical predicate rules by introducing a novel differentiable Neural Logic (dNL) network. The proposed dNL network is able to learn and represent Boolean functions efficiently and in an explicit manner. We show that the proposed dNL-ILP solver supports desirable features such as recursion and predicate invention. Further, we investigate the performance of the proposed ILP solver in classification tasks involving benchmark relational datasets. In particular, we show that our proposed method outperforms the state of the art ILP solvers in classification tasks for Mutagenesis, Cora and IMDB datasets.
Proposed Guidelines for the Responsible Use of Explainable Machine Learning.

Explainable machine learning (ML) enables human learning from ML, human appeal of automated model decisions, regulatory compliance, and security audits of ML models. Explainable ML (i.e. explainable artificial intelligence or XAI) has been implemented in numerous open source and commercial packages and explainable ML is also an important, mandatory, or embedded aspect of commercial predictive modeling in industries like financial services. However, like many technologies, explainable ML can be misused, particularly as a faulty safeguard for harmful black-boxes, e.g. fairwashing or scaffolding, and for other malevolent purposes like stealing models and sensitive training data. To promote best-practice discussions for this already in-flight technology, this short text presents internal definitions and a few examples before covering the proposed guidelines. This text concludes with a seemingly natural argument for the use of interpretable models and explanatory, debugging, and disparate impact testing methods in life- or mission-critical ML systems.
Transfer Learning by Modeling a Distribution over Policies

Exploration and adaptation to new tasks in a transfer learning setup is a central challenge in reinforcement learning. In this work, we build on the idea of modeling a distribution over policies in a Bayesian deep reinforcement learning setup to propose a transfer strategy. Recent works have shown to induce diversity in the learned policies by maximizing the entropy of a distribution of policies (Bachman et al., 2018; Garnelo et al., 2018) and thus, we postulate that our proposed approach leads to faster exploration resulting in improved transfer learning. We support our hypothesis by demonstrating favorable experimental results on a variety of settings on fully-observable GridWorld and partially observable MiniGrid (Chevalier-Boisvert et al., 2018) environments.
A Survey on Neural Network Language Models

As the core component of Natural Language Processing (NLP) system, Language Model (LM) can provide word representation and probability indication of word sequences. Neural Network Language Models (NNLMs) overcome the curse of dimensionality and improve the performance of traditional LMs. A survey on NNLMs is performed in this paper. The structure of classic NNLMs is described firstly, and then some major improvements are introduced and analyzed. We summarize and compare corpora and toolkits of NNLMs. Further, some research directions of NNLMs are discussed.