Many modern statistical analysis and machine learning applications require training models on sensitive user data. Under a formal definition of privacy protection, differentially private algorithms inject calibrated noise into the confidential data or during the data analysis process to produce privacy-protected datasets or queries. However, restricting access to only privatized data during statistical analysis makes it computationally challenging to make valid statistical inferences. In this work, we propose simulation-based inference methods from privacy-protected datasets. In addition to sequential Monte Carlo approximate Bayesian computation, we adopt neural conditional density estimators as a flexible family of distributions to approximate the posterior distribution of model parameters given the observed private query results. We illustrate our methods on discrete time-series data under an infectious disease model and with ordinary linear regression models. Illustrating the privacy-utility trade-off, our experiments and analysis demonstrate the necessity and feasibility of designing valid statistical inference procedures to correct for biases introduced by the privacy-protection mechanisms.
Large language models (LLMs) have been treated as knowledge bases due to their strong performance in knowledge probing tasks. LLMs are typically evaluated using accuracy, yet this metric does not capture the vulnerability of LLMs to hallucination-inducing factors like prompt and context variability. How do we evaluate the capabilities of LLMs to consistently produce factually correct answers? In this paper, we propose MOdel kNowledge relIabiliTy scORe (MONITOR), a novel metric designed to directly measure LLMs' factual reliability. MONITOR computes the distance between the probability distributions of a valid output and its counterparts produced by the same LLM probing the same fact using different styles of prompts and contexts.Experiments on a comprehensive range of 12 LLMs demonstrate the effectiveness of MONITOR in evaluating the factual reliability of LLMs while maintaining a low computational overhead. In addition, we release the FKTC (Factual Knowledge Test Corpus) test set, containing 210,158 prompts in total to foster research along this line (https://github.com/Vicky-Wil/MONITOR).
Many causal estimands are only partially identifiable since they depend on the unobservable joint distribution between potential outcomes. Stratification on pretreatment covariates can yield sharper bounds; however, unless the covariates are discrete with relatively small support, this approach typically requires binning covariates or estimating the conditional distributions of the potential outcomes given the covariates. Binning can result in substantial efficiency loss and become challenging to implement, even with a moderate number of covariates. Estimating conditional distributions, on the other hand, may yield invalid inference if the distributions are inaccurately estimated, such as when a misspecified model is used or when the covariates are high-dimensional. In this paper, we propose a unified and model-agnostic inferential approach for a wide class of partially identified estimands. Our method, based on duality theory for optimal transport problems, has four key properties. First, in randomized experiments, our approach can wrap around any estimates of the conditional distributions and provide uniformly valid inference, even if the initial estimates are arbitrarily inaccurate. A simple extension of our method to observational studies is doubly robust in the usual sense. Second, if nuisance parameters are estimated at semiparametric rates, our estimator is asymptotically unbiased for the sharp partial identification bound. Third, we can apply the multiplier bootstrap to select covariates and models without sacrificing validity, even if the true model is not selected. Finally, our method is computationally efficient. Overall, in three empirical applications, our method consistently reduces the width of estimated identified sets and confidence intervals without making additional structural assumptions.
Instruction-tuned large language models (LLMs) excel at many tasks but often fail to use external tools due to complicated and unfamiliar syntax constraints. While extensive fine-tuning and prompting can mitigate the issue, these approaches are expensive and hard to generalize. Furthermore, because syntax constraints are only learned implicitly during fine-tuning, models still make frequent syntax errors. Motivated by the fact that these constraints can be better satisfied explicitly with constrained decoding, we propose TOOLDEC, a decoding algorithm using finite state machines to force LLMs to follow tool syntax. Our experiments show that TOOLDEC eliminates all syntax errors, achieving significantly better performance on various base models and benchmarks. More surprisingly, when applied to generalist out-of-the-box LLMs such as Mistral-Instruct, TOOLDEC improves its accuracy in tool use from the initial 0% to an impressive 52%, matching the performance of specialized fine-tuned models such as ToolLLM.
Anomaly Detection (AD) focuses on identifying unusual behaviors in complex datasets. Machine Learning (ML) algorithms and Decision Support Systems (DSSs) provide effective solutions for AD, but detecting anomalies alone may not be enough, especially in engineering, where diagnostics and maintenance are crucial. Users need clear explanations to support root cause analysis and build trust in the model. The unsupervised nature of AD, however, makes interpretability a challenge. This paper introduces Extended Isolation Forest Feature Importance (ExIFFI), a method that explains predictions made by Extended Isolation Forest (EIF) models, which split data using hyperplanes. ExIFFI provides explanations at both global and local levels by leveraging feature importance. We also present an improved version, Enhanced Extended Isolation Forest (EIF+), designed to enhance the model's ability to detect unseen anomalies through a revised splitting strategy. Using five synthetic and eleven real-world datasets, we conduct a comparative analysis, evaluating unsupervised AD methods with the Average Precision metric. EIF+ consistently outperforms EIF across all datasets when trained without anomalies, demonstrating better generalization. To assess ExIFFI's interpretability, we introduce the Area Under the Curve of Feature Selection (AUC\_FS), a novel metric using feature selection as a proxy task. ExIFFI outperforms other unsupervised interpretability methods on 8 of 11 real-world datasets and successfully identifies anomalous features in synthetic datasets. When trained only on inliers, ExIFFI also outperforms competing models on real-world data and accurately detects anomalous features in synthetic datasets. We provide open-source code to encourage further research and reproducibility.
Large Language Models (LLMs) have demonstrated remarkable progress in utilizing tools, but their closed-source nature and high inference costs pose limitations on their adaptability, necessitating a valid method that leverages smaller, open-sourced models. In this paper, we introduce Toolink, a comprehensive framework that performs task-solving by first creating a toolkit and then integrating the planning and calling of tools through a chain-of-solving (CoS) approach. We first validate the efficacy of Toolink in harnessing the model's creativity and CoS ability on ChatGPT. Subsequently, we curate CoS-GPT, a chain-of-solving dataset designed for tool-using, and finetune the LLaMA-7B model. It results in LLaMA-CoS, a powerful open-source model with advanced tool-planning and tool-calling capabilities. Evaluation of diverse tasks from BIG-bench demonstrates its CoS ability matches that of ChatGPT while its performance surpasses the chain-of-thought approach. Further studies highlight the generalization of LLaMA-CoS to unseen tasks and showcase its capability in using toolkits not explicitly tailored for the target task, affirming its robustness in real-world scenarios.
Diffusion models have recently been shown to be relevant for high-quality speech generation. Most work has been focused on generating spectrograms, and as such, they further require a subsequent model to convert the spectrogram to a waveform (i.e., a vocoder). This work proposes a diffusion probabilistic end-to-end model for generating a raw speech waveform. The proposed model is autoregressive, generating overlapping frames sequentially, where each frame is conditioned on a portion of the previously generated one. Hence, our model can effectively synthesize an unlimited speech duration while preserving high-fidelity synthesis and temporal coherence. We implemented the proposed model for unconditional and conditional speech generation, where the latter can be driven by an input sequence of phonemes, amplitudes, and pitch values. Working on the waveform directly has some empirical advantages. Specifically, it allows the creation of local acoustic behaviors, like vocal fry, which makes the overall waveform sounds more natural. Furthermore, the proposed diffusion model is stochastic and not deterministic; therefore, each inference generates a slightly different waveform variation, enabling abundance of valid realizations. Experiments show that the proposed model generates speech with superior quality compared with other state-of-the-art neural speech generation systems.
To address the interpretability challenge in machine learning (ML) systems, counterfactual explanations (CEs) have emerged as a promising solution. CEs are unique as they provide workable suggestions to users, in addition to explaining why a certain outcome was predicted. The application of CEs encounters two main challenges: general user preferences and variable ML systems. User preferences tend to be general rather than specific, and CEs need to be adaptable to variable ML models while maintaining robustness even as these models change. Facing these challenges, we present a solution rooted in validated general user preferences, which are derived from thorough user research. We map these preferences to the properties of CEs. Additionally, we introduce a novel method, \uline{T}ree-based \uline{C}onditions \uline{O}ptional \uline{L}inks (T-COL), which incorporates two optional structures and multiple condition groups for generating CEs adaptable to general user preferences. Meanwhile, we employ T-COL to enhance the robustness of CEs with specific conditions, making them more valid even when the ML model is replaced. Our experimental comparisons under different user preferences show that T-COL outperforms all baselines, including Large Language Models which are shown to be able to generate counterfactuals.
Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, setting up the environment for each test scenario manually, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.
This paper proposes a fully-automatic, text-guided generative method for producing perfectly-repeating, periodic, tile-able 2D imagery, such as the one seen on floors, mosaics, ceramics, and the work of M.C. Escher. In contrast to square texture images that are seamless when tiled, our method generates non-square tilings which comprise solely of repeating copies of the same object. It achieves this by optimizing both geometry and texture of a 2D mesh, yielding a non-square tile in the shape and appearance of the desired object, with close to no additional background details, that can tile the plane without gaps nor overlaps. We enable optimization of the tile's shape by an unconstrained, differentiable parameterization of the space of all valid tileable meshes for given boundary conditions stemming from a symmetry group. Namely, we construct a differentiable family of linear systems derived from a 2D mesh-mapping technique - Orbifold Tutte Embedding - by considering the mesh's Laplacian matrix as differentiable parameters. We prove that the solution space of these linear systems is exactly all possible valid tiling configurations, thereby providing an end-to-end differentiable representation for the entire space of valid tiles. We render the textured mesh via a differentiable renderer, and leverage a pre-trained image diffusion model to induce a loss on the resulting image, updating the mesh's parameters so as to make its appearance match the text prompt. We show our method is able to produce plausible, appealing results, with non-trivial tiles, for a variety of different periodic tiling patterns.
The relation classification task assigns the proper semantic relation to a pair of subject and object entities; the task plays a crucial role in various text mining applications, such as knowledge graph construction and entities interaction discovery in biomedical text. Current relation classification models employ additional procedures to identify multiple relations in a single sentence. Furthermore, they overlook the imbalanced predictions pattern. The pattern arises from the presence of a few valid relations that need positive labeling in a relatively large predefined relations set. We propose a multiple relations classification model that tackles these issues through a customized output architecture and by exploiting additional input features. Our findings suggest that handling the imbalanced predictions leads to significant improvements, even on a modest training design. The results demonstrate superiority performance on benchmark datasets commonly used in relation classification. To the best of our knowledge, this work is the first that recognizes the imbalanced predictions within the relation classification task.
Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key structures identified by the current explainable GNN models are typically chemically invalid. Furthermore, a threshold needs to be manually selected to pinpoint the key structures from the rest. To overcome the limitations of the current explainable GNN models, we propose our SLGNN, which stands for using Sparse Learning to Graph Neural Networks. Our SLGNN relies on using a chemical-substructure-based graph (where nodes are chemical substructures) to represent a drug molecule. Furthermore, SLGNN incorporates generalized fussed lasso with message-passing algorithms to identify connected subgraphs that are critical for the drug-protein binding prediction. Due to the use of the chemical-substructure-based graph, it is guaranteed that any subgraphs in a drug identified by our SLGNN are chemically valid structures. These structures can be further interpreted as the key chemical structures for the drug to bind to the target protein. We demonstrate the explanatory power of our SLGNN by first showing all the key structures identified by our SLGNN are chemically valid. In addition, we illustrate that the key structures identified by our SLGNN have more predictive power than the key structures identified by the competing methods. At last, we use known drug-protein binding data to show the key structures identified by our SLGNN contain most of the binding sites.
Multi-modal unsupervised domain adaptation (MM-UDA) for 3D semantic segmentation is a practical solution to embed semantic understanding in autonomous systems without expensive point-wise annotations. While previous MM-UDA methods can achieve overall improvement, they suffer from significant class-imbalanced performance, restricting their adoption in real applications. This imbalanced performance is mainly caused by: 1) self-training with imbalanced data and 2) the lack of pixel-wise 2D supervision signals. In this work, we propose Multi-modal Prior Aided (MoPA) domain adaptation to improve the performance of rare objects. Specifically, we develop Valid Ground-based Insertion (VGI) to rectify the imbalance supervision signals by inserting prior rare objects collected from the wild while avoiding introducing artificial artifacts that lead to trivial solutions. Meanwhile, our SAM consistency loss leverages the 2D prior semantic masks from SAM as pixel-wise supervision signals to encourage consistent predictions for each object in the semantic mask. The knowledge learned from modal-specific prior is then shared across modalities to achieve better rare object segmentation. Extensive experiments show that our method achieves state-of-the-art performance on the challenging MM-UDA benchmark. Code will be available at https://github.com/AronCao49/MoPA.
Classical motion planning for robotic manipulation includes a set of general algorithms that aim to minimize a scene-specific cost of executing a given plan. This approach offers remarkable adaptability, as they can be directly used off-the-shelf for any new scene without needing specific training datasets. However, without a prior understanding of what diverse valid trajectories are and without specially designed cost functions for a given scene, the overall solutions tend to have low success rates. While deep-learning-based algorithms tremendously improve success rates, they are much harder to adopt without specialized training datasets. We propose EDMP, an Ensemble-of-costs-guided Diffusion for Motion Planning that aims to combine the strengths of classical and deep-learning-based motion planning. Our diffusion-based network is trained on a set of diverse kinematically valid trajectories. Like classical planning, for any new scene at the time of inference, we compute scene-specific costs such as "collision cost" and guide the diffusion to generate valid trajectories that satisfy the scene-specific constraints. Further, instead of a single cost function that may be insufficient in capturing diversity across scenes, we use an ensemble of costs to guide the diffusion process, significantly improving the success rate compared to classical planners. EDMP performs comparably with SOTA deep-learning-based methods while retaining the generalization capabilities primarily associated with classical planners.
Graph clustering, which learns the node representations for effective cluster assignments, is a fundamental yet challenging task in data analysis and has received considerable attention accompanied by graph neural networks in recent years. However, most existing methods overlook the inherent relational information among the non-independent and non-identically distributed nodes in a graph. Due to the lack of exploration of relational attributes, the semantic information of the graph-structured data fails to be fully exploited which leads to poor clustering performance. In this paper, we propose a novel self-supervised deep graph clustering method named Relational Redundancy-Free Graph Clustering (R$^2$FGC) to tackle the problem. It extracts the attribute- and structure-level relational information from both global and local views based on an autoencoder and a graph autoencoder. To obtain effective representations of the semantic information, we preserve the consistent relation among augmented nodes, whereas the redundant relation is further reduced for learning discriminative embeddings. In addition, a simple yet valid strategy is utilized to alleviate the over-smoothing issue. Extensive experiments are performed on widely used benchmark datasets to validate the superiority of our R$^2$FGC over state-of-the-art baselines. Our codes are available at https://github.com/yisiyu95/R2FGC.
The development of large high-quality datasets and high-performing models have led to significant advancements in the domain of Extractive Question Answering (EQA). This progress has sparked considerable interest in exploring unanswerable questions within the EQA domain. Training EQA models with unanswerable questions helps them avoid extracting misleading or incorrect answers for queries that lack valid responses. However, manually annotating unanswerable questions is labor-intensive. To address this, we propose AGent, a novel pipeline that automatically creates new unanswerable questions by re-matching a question with a context that lacks the necessary information for a correct answer. In this paper, we demonstrate the usefulness of this AGent pipeline by creating two sets of unanswerable questions from answerable questions in SQuAD and HotpotQA. These created question sets exhibit low error rates. Additionally, models fine-tuned on these questions show comparable performance with those fine-tuned on the SQuAD 2.0 dataset on multiple EQA benchmarks.
Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.
Code-mixing and script-mixing are prevalent across online social networks and multilingual societies. However, a user's preference toward code-mixing depends on the socioeconomic status, demographics of the user, and the local context, which existing generative models mostly ignore while generating code-mixed texts. In this work, we make a pioneering attempt to develop a persona-aware generative model to generate texts resembling real-life code-mixed texts of individuals. We propose a Persona-aware Generative Model for Code-mixed Generation, PARADOX, a novel Transformer-based encoder-decoder model that encodes an utterance conditioned on a user's persona and generates code-mixed texts without monolingual reference data. We propose an alignment module that re-calibrates the generated sequence to resemble real-life code-mixed texts. PARADOX generates code-mixed texts that are semantically more meaningful and linguistically more valid. To evaluate the personification capabilities of PARADOX, we propose four new metrics -- CM BLEU, CM Rouge-1, CM Rouge-L and CM KS. On average, PARADOX achieves 1.6 points better CM BLEU, 47% better perplexity and 32% better semantic coherence than the non-persona-based counterparts.
Due to the difficulty in scaling up, generative adversarial networks (GANs) seem to be falling from grace on the task of text-conditioned image synthesis. Sparsely-activated mixture-of-experts (MoE) has recently been demonstrated as a valid solution to training large-scale models with limited computational resources. Inspired by such a philosophy, we present Aurora, a GAN-based text-to-image generator that employs a collection of experts to learn feature processing, together with a sparse router to help select the most suitable expert for each feature point. To faithfully decode the sampling stochasticity and the text condition to the final synthesis, our router adaptively makes its decision by taking into account the text-integrated global latent code. At 64x64 image resolution, our model trained on LAION2B-en and COYO-700M achieves 6.2 zero-shot FID on MS COCO. We release the code and checkpoints to facilitate the community for further development.
Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.