In any given machine learning problem, there may be many models that could explain the data almost equally well. However, most learning algorithms return only one of these models, leaving practitioners with no practical way to explore alternative models that might have desirable properties beyond what could be expressed within a loss function. The Rashomon set is the set of these all almost-optimal models. Rashomon sets can be extremely complicated, particularly for highly nonlinear function classes that allow complex interaction terms, such as decision trees. We provide the first technique for completely enumerating the Rashomon set for sparse decision trees; in fact, our work provides the first complete enumeration of any Rashomon set for a non-trivial problem with a highly nonlinear discrete function class. This allows the user an unprecedented level of control over model choice among all models that are approximately equally good. We represent the Rashomon set in a specialized data structure that supports efficient querying and sampling. We show three applications of the Rashomon set: 1) it can be used to study variable importance for the set of almost-optimal trees (as opposed to a single tree), 2) the Rashomon set for accuracy enables enumeration of the Rashomon sets for balanced accuracy and F1-score, and 3) the Rashomon set for a full dataset can be used to produce Rashomon sets constructed with only subsets of the data set. Thus, we are able to examine Rashomon sets across problems with a new lens, enabling users to choose models rather than be at the mercy of an algorithm that produces only a single model.
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Automated decision support systems promise to help human experts solve tasks more efficiently and accurately. However, existing systems typically require experts to understand when to cede agency to the system or when to exercise their own agency. Moreover, if the experts develop a misplaced trust in the system, their performance may worsen. In this work, we lift the above requirement and develop automated decision support systems that, by design, do not require experts to understand when each of their recommendations is accurate to improve their performance. To this end, we focus on multiclass classification tasks and consider an automated decision support system that, for each data sample, uses a classifier to recommend a subset of labels to a human expert. We first show that, by looking at the design of such a system from the perspective of conformal prediction, we can ensure that the probability that the recommended subset of labels contains the true label matches almost exactly a target probability value with high probability. Then, we develop an efficient and near-optimal search method to find the target probability value under which the expert benefits the most from using our system. Experiments on synthetic and real data demonstrate that our system can help the experts make more accurate predictions and is robust to the accuracy of the classifier it relies on.
Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the usage of KGs in many AI applications, such as question answering and recommendation systems, etc. According to the graph types, the existing KGR models can be roughly divided into three categories, \textit{i.e.,} static models, temporal models, and multi-modal models. The early works in this domain mainly focus on static KGR and tend to directly apply general knowledge graph embedding models to the reasoning task. However, these models are not suitable for more complex but practical tasks, such as inductive static KGR, temporal KGR, and multi-modal KGR. To this end, multiple works have been developed recently, but no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a survey for knowledge graph reasoning tracing from static to temporal and then to multi-modal KGs. Concretely, the preliminaries, summaries of KGR models, and typical datasets are introduced and discussed consequently. Moreover, we discuss the challenges and potential opportunities. The corresponding open-source repository is shared on GitHub: //github.com/LIANGKE23/Awesome-Knowledge-Graph-Reasoning.
The U.S. Child Welfare System (CWS) is increasingly seeking to emulate business models of the private sector centered in efficiency, cost reduction, and innovation through the adoption of algorithms. These data-driven systems purportedly improve decision-making, however, the public sector poses its own set of challenges with respect to the technical, theoretical, cultural, and societal implications of algorithmic decision-making. To fill these gaps, my dissertation comprises four studies that examine: 1) how caseworkers interact with algorithms in their day-to-day discretionary work, 2) the impact of algorithmic decision-making on the nature of practice, organization, and street-level decision-making, 3) how casenotes can help unpack patterns of invisible labor and contextualize decision-making processes, and 4) how casenotes can help uncover deeper systemic constraints and risk factors that are hard to quantify but directly impact families and street-level decision-making. My goal for this research is to investigate systemic disparities and design and develop algorithmic systems that are centered in the theory of practice and improve the quality of human discretionary work. These studies have provided actionable steps for human-centered algorithm design in the public sector.
Citation counts are widely used as indicators of research quality to support or replace human peer review and for lists of top cited papers, researchers, and institutions. Nevertheless, the extent to which citation counts reflect research quality is not well understood. We report the largest-scale evaluation of the relationship between research quality and citation counts, correlating them for 87,739 journal articles in 34 field-based Units of Assessment (UoAs) from the UK. We show that the two correlate positively in all academic fields examined, from very weak (0.1) to strong (0.5). The highest correlations are in health, life sciences and physical sciences and the lowest are in the arts and humanities. The patterns are similar for the field classification schemes of Scopus and Dimensions.ai. We also show that there is no citation threshold in any field beyond which all articles are excellent quality, so lists of top cited articles are not definitive collections of excellence. Moreover, log transformed citation counts have a close to linear relationship with UK research quality ranked scores that is shallow in some fields but steep in others. In conclusion, whilst appropriately field normalised citations associate positively with research quality in all fields, they never perfectly reflect it, even at very high values.
Recent years have seen rapid progress at the intersection between causality and machine learning. Motivated by scientific applications involving high-dimensional data, in particular in biomedicine, we propose a deep neural architecture for learning causal relationships between variables from a combination of empirical data and prior causal knowledge. We combine convolutional and graph neural networks within a causal risk framework to provide a flexible and scalable approach. Empirical results include linear and nonlinear simulations (where the underlying causal structures are known and can be directly compared against), as well as a real biological example where the models are applied to high-dimensional molecular data and their output compared against entirely unseen validation experiments. These results demonstrate the feasibility of using deep learning approaches to learn causal networks in large-scale problems spanning thousands of variables.
Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.
This article develops a convex description of a classical or quantum learner's or agent's state of knowledge about its environment, presented as a convex subset of a commutative R-algebra. With caveats, this leads to a generalization of certain semidefinite programs in quantum information (such as those describing the universal query algorithm dual to the quantum adversary bound, related to optimal learning or control of the environment) to the classical and faulty-quantum setting, which would not be possible with a naive description via joint probability distributions over environment and internal memory. More philosophically, it also makes an interpretation of the set of reduced density matrices as "states of knowledge" of an observer of its environment, related to these techniques, more explicit. As another example, I describe and solve a formal differential equation of states of knowledge in that algebra, where an agent obtains experimental data in a Poissonian process, and its state of knowledge evolves as an exponential power series. However, this framework currently lacks impressive applications, and I post it in part to solicit feedback and collaboration on those. In particular, it may be possible to develop it into a new framework for the design of experiments, e.g. the problem of finding maximally informative questions to ask human labelers or the environment in machine-learning problems. The parts of the article not related to quantum information don't assume knowledge of it.
Game theory has by now found numerous applications in various fields, including economics, industry, jurisprudence, and artificial intelligence, where each player only cares about its own interest in a noncooperative or cooperative manner, but without obvious malice to other players. However, in many practical applications, such as poker, chess, evader pursuing, drug interdiction, coast guard, cyber-security, and national defense, players often have apparently adversarial stances, that is, selfish actions of each player inevitably or intentionally inflict loss or wreak havoc on other players. Along this line, this paper provides a systematic survey on three main game models widely employed in adversarial games, i.e., zero-sum normal-form and extensive-form games, Stackelberg (security) games, zero-sum differential games, from an array of perspectives, including basic knowledge of game models, (approximate) equilibrium concepts, problem classifications, research frontiers, (approximate) optimal strategy seeking techniques, prevailing algorithms, and practical applications. Finally, promising future research directions are also discussed for relevant adversarial games.
This paper serves as a survey of recent advances in large margin training and its theoretical foundations, mostly for (nonlinear) deep neural networks (DNNs) that are probably the most prominent machine learning models for large-scale data in the community over the past decade. We generalize the formulation of classification margins from classical research to latest DNNs, summarize theoretical connections between the margin, network generalization, and robustness, and introduce recent efforts in enlarging the margins for DNNs comprehensively. Since the viewpoint of different methods is discrepant, we categorize them into groups for ease of comparison and discussion in the paper. Hopefully, our discussions and overview inspire new research work in the community that aim to improve the performance of DNNs, and we also point to directions where the large margin principle can be verified to provide theoretical evidence why certain regularizations for DNNs function well in practice. We managed to shorten the paper such that the crucial spirit of large margin learning and related methods are better emphasized.
Recent years have witnessed the enormous success of low-dimensional vector space representations of knowledge graphs to predict missing facts or find erroneous ones. Currently, however, it is not yet well-understood how ontological knowledge, e.g. given as a set of (existential) rules, can be embedded in a principled way. To address this shortcoming, in this paper we introduce a framework based on convex regions, which can faithfully incorporate ontological knowledge into the vector space embedding. Our technical contribution is two-fold. First, we show that some of the most popular existing embedding approaches are not capable of modelling even very simple types of rules. Second, we show that our framework can represent ontologies that are expressed using so-called quasi-chained existential rules in an exact way, such that any set of facts which is induced using that vector space embedding is logically consistent and deductively closed with respect to the input ontology.
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