We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach focuses on the use of human judgment to distinguish inputs which `look the same' to any feasible predictive algorithm. We argue that this framing clarifies the problem of human/AI collaboration in prediction tasks, as experts often have access to information -- particularly subjective information -- which is not encoded in the algorithm's training data. We use this insight to develop a set of principled algorithms for selectively incorporating human feedback only when it improves the performance of any feasible predictor. We find empirically that although algorithms often outperform their human counterparts on average, human judgment can significantly improve algorithmic predictions on specific instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.
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We propose the characteristic generator, a novel one-step generative model that combines the efficiency of sampling in Generative Adversarial Networks (GANs) with the stable performance of flow-based models. Our model is driven by characteristics, along which the probability density transport can be described by ordinary differential equations (ODEs). Specifically, We estimate the velocity field through nonparametric regression and utilize Euler method to solve the probability flow ODE, generating a series of discrete approximations to the characteristics. We then use a deep neural network to fit these characteristics, ensuring a one-step mapping that effectively pushes the prior distribution towards the target distribution. In the theoretical aspect, we analyze the errors in velocity matching, Euler discretization, and characteristic fitting to establish a non-asymptotic convergence rate for the characteristic generator in 2-Wasserstein distance. To the best of our knowledge, this is the first thorough analysis for simulation-free one step generative models. Additionally, our analysis refines the error analysis of flow-based generative models in prior works. We apply our method on both synthetic and real datasets, and the results demonstrate that the characteristic generator achieves high generation quality with just a single evaluation of neural network.
We introduce {\em generative monoculture}, a behavior observed in large language models (LLMs) characterized by a significant narrowing of model output diversity relative to available training data for a given task: for example, generating only positive book reviews for books with a mixed reception. While in some cases, generative monoculture enhances performance (e.g., LLMs more often produce efficient code), the dangers are exacerbated in others (e.g., LLMs refuse to share diverse opinions). As LLMs are increasingly used in high-impact settings such as education and web search, careful maintenance of LLM output diversity is essential to ensure a variety of facts and perspectives are preserved over time. We experimentally demonstrate the prevalence of generative monoculture through analysis of book review and code generation tasks, and find that simple countermeasures such as altering sampling or prompting strategies are insufficient to mitigate the behavior. Moreover, our results suggest that the root causes of generative monoculture are likely embedded within the LLM's alignment processes, suggesting a need for developing fine-tuning paradigms that preserve or promote diversity.
This work reviews how database theory uses tractable circuit classes from knowledge compilation. We present relevant query evaluation tasks, and notions of tractable circuits. We then show how these tractable circuits can be used to address database tasks. We first focus on Boolean provenance and its applications for aggregation tasks, in particular probabilistic query evaluation. We study these for Monadic Second Order (MSO) queries on trees, and for safe Conjunctive Queries (CQs) and Union of Conjunctive Queries (UCQs). We also study circuit representations of query answers, and their applications to enumeration tasks: both in the Boolean setting (for MSO) and the multivalued setting (for CQs and UCQs).
We propose a functional stochastic block model whose vertices involve functional data information. This new model extends the classic stochastic block model with vector-valued nodal information, and finds applications in real-world networks whose nodal information could be functional curves. Examples include international trade data in which a network vertex (country) is associated with the annual or quarterly GDP over certain time period, and MyFitnessPal data in which a network vertex (MyFitnessPal user) is associated with daily calorie information measured over certain time period. Two statistical tasks will be jointly executed. First, we will detect community structures of the network vertices assisted by the functional nodal information. Second, we propose computationally efficient variational test to examine the significance of the functional nodal information. We show that the community detection algorithms achieve weak and strong consistency, and the variational test is asymptotically chi-square with diverging degrees of freedom. As a byproduct, we propose pointwise confidence intervals for the slop function of the functional nodal information. Our methods are examined through both simulated and real datasets.
Quantum relative entropy programs are convex optimization problems which minimize a linear functional over an affine section of the epigraph of the quantum relative entropy function. Recently, the self-concordance of a natural barrier function was proved for this set. This has opened up the opportunity to use interior-point methods for nonsymmetric cone programs to solve these optimization problems. In this paper, we show how common structures arising from applications in quantum information theory can be exploited to improve the efficiency of solving quantum relative entropy programs using interior-point methods. First, we show that the natural barrier function for the epigraph of the quantum relative entropy composed with positive linear operators is optimally self-concordant, even when these linear operators map to singular matrices. Second, we show how we can exploit a catalogue of common structures in these linear operators to compute the inverse Hessian products of the barrier function more efficiently. This step is typically the bottleneck when solving quantum relative entropy programs using interior-point methods, and therefore improving the efficiency of this step can significantly improve the computational performance of the algorithm. We demonstrate how these methods can be applied to important applications in quantum information theory, including quantum key distribution, quantum rate-distortion, quantum channel capacities, and estimating the ground state energy of Hamiltonians. Our numerical results show that these techniques improve computation times by up to several orders of magnitude, and allow previously intractable problems to be solved.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
The notion of "in-domain data" in NLP is often over-simplistic and vague, as textual data varies in many nuanced linguistic aspects such as topic, style or level of formality. In addition, domain labels are many times unavailable, making it challenging to build domain-specific systems. We show that massive pre-trained language models implicitly learn sentence representations that cluster by domains without supervision -- suggesting a simple data-driven definition of domains in textual data. We harness this property and propose domain data selection methods based on such models, which require only a small set of in-domain monolingual data. We evaluate our data selection methods for neural machine translation across five diverse domains, where they outperform an established approach as measured by both BLEU and by precision and recall of sentence selection with respect to an oracle.
External knowledge is often useful for natural language understanding tasks. We introduce a contextual text representation model called Conceptual-Contextual (CC) embeddings, which incorporates structured knowledge into text representations. Unlike entity embedding methods, our approach encodes a knowledge graph into a context model. CC embeddings can be easily reused for a wide range of tasks just like pre-trained language models. Our model effectively encodes the huge UMLS database by leveraging semantic generalizability. Experiments on electronic health records (EHRs) and medical text processing benchmarks showed our model gives a major boost to the performance of supervised medical NLP tasks.
External knowledge is often useful for natural language understanding tasks. We introduce a contextual text representation model called Conceptual-Contextual (CC) embeddings, which incorporates structured knowledge into text representations. Unlike entity embedding methods, our approach encodes a knowledge graph into a context model. CC embeddings can be easily reused for a wide range of tasks just like pre-trained language models. Our model effectively encodes the huge UMLS database by leveraging semantic generalizability. Experiments on electronic health records (EHRs) and medical text processing benchmarks showed our model gives a major boost to the performance of supervised medical NLP tasks.
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