While Vision-Language Models (VLMs) hold promise for tasks requiring extensive collaboration, traditional multi-agent simulators have facilitated rich explorations of an interactive artificial society that reflects collective behavior. However, these existing simulators face significant limitations. Firstly, they struggle with handling large numbers of agents due to high resource demands. Secondly, they often assume agents possess perfect information and limitless capabilities, hindering the ecological validity of simulated social interactions. To bridge this gap, we propose a multi-agent Minecraft simulator, MineLand, that bridges this gap by introducing three key features: large-scale scalability, limited multimodal senses, and physical needs. Our simulator supports 64 or more agents. Agents have limited visual, auditory, and environmental awareness, forcing them to actively communicate and collaborate to fulfill physical needs like food and resources. Additionally, we further introduce an AI agent framework, Alex, inspired by multitasking theory, enabling agents to handle intricate coordination and scheduling. Our experiments demonstrate that the simulator, the corresponding benchmark, and the AI agent framework contribute to more ecological and nuanced collective behavior.The source code of MineLand and Alex is openly available at https://github.com/cocacola-lab/MineLand.
Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel learning (MKL) has shown to be a flexible and valid approach to consider the diverse nature of multi-omics inputs, despite being an underused tool in genomic data mining. We provide novel MKL approaches based on different kernel fusion strategies. To learn from the meta-kernel of input kernels, we adapted unsupervised integration algorithms for supervised tasks with support vector machines. We also tested deep learning architectures for kernel fusion and classification. The results show that MKL-based models can outperform more complex, state-of-the-art, supervised multi-omics integrative approaches. Multiple kernel learning offers a natural framework for predictive models in multi-omics data. It proved to provide a fast and reliable solution that can compete with and outperform more complex architectures. Our results offer a direction for bio-data mining research, biomarker discovery and further development of methods for heterogeneous data integration.
While SHAP (SHapley Additive exPlanations) and other feature attribution methods are commonly employed to explain model predictions, their application within information retrieval (IR), particularly for complex outputs such as ranked lists, remains limited. Existing attribution methods typically provide pointwise explanations, focusing on why a single document received a high-ranking score, rather than considering the relationships between documents in a ranked list. We present three key contributions to address this gap. First, we rigorously define listwise feature attribution for ranking models. Secondly, we introduce RankingSHAP, extending the popular SHAP framework to accommodate listwise ranking attribution, addressing a significant methodological gap in the field. Third, we propose two novel evaluation paradigms for assessing the faithfulness of attributions in learning-to-rank models, measuring the correctness and completeness of the explanation with respect to different aspects. Through experiments on standard learning-to-rank datasets, we demonstrate RankingSHAP's practical application while identifying the constraints of selection-based explanations. We further employ a simulated study with an interpretable model to showcase how listwise ranking attributions can be used to examine model decisions and conduct a qualitative evaluation of explanations. Due to the contrastive nature of the ranking task, our understanding of ranking model decisions can substantially benefit from feature attribution explanations like RankingSHAP.
Neural Radiance Fields (NeRFs) have shown impressive results for novel view synthesis when a sufficiently large amount of views are available. When dealing with few-shot settings, i.e. with a small set of input views, the training could overfit those views, leading to artifacts and geometric and chromatic inconsistencies in the resulting rendering. Regularization is a valid solution that helps NeRF generalization. On the other hand, each of the most recent NeRF regularization techniques aim to mitigate a specific rendering problem. Starting from this observation, in this paper we propose CombiNeRF, a framework that synergically combines several regularization techniques, some of them novel, in order to unify the benefits of each. In particular, we regularize single and neighboring rays distributions and we add a smoothness term to regularize near geometries. After these geometric approaches, we propose to exploit Lipschitz regularization to both NeRF density and color networks and to use encoding masks for input features regularization. We show that CombiNeRF outperforms the state-of-the-art methods with few-shot settings in several publicly available datasets. We also present an ablation study on the LLFF and NeRF-Synthetic datasets that support the choices made. We release with this paper the open-source implementation of our framework.
Given an intractable distribution $p$, the problem of variational inference (VI) is to find the best approximation from some more tractable family $Q$. Commonly, one chooses $Q$ to be a family of factorized distributions (i.e., the mean-field assumption), even though~$p$ itself does not factorize. We show that this mismatch leads to an impossibility theorem: if $p$ does not factorize, then any factorized approximation $q\in Q$ can correctly estimate at most one of the following three measures of uncertainty: (i) the marginal variances, (ii) the marginal precisions, or (iii) the generalized variance (which can be related to the entropy). In practice, the best variational approximation in $Q$ is found by minimizing some divergence $D(q,p)$ between distributions, and so we ask: how does the choice of divergence determine which measure of uncertainty, if any, is correctly estimated by VI? We consider the classic Kullback-Leibler divergences, the more general $\alpha$-divergences, and a score-based divergence which compares $\nabla \log p$ and $\nabla \log q$. We provide a thorough theoretical analysis in the setting where $p$ is a Gaussian and $q$ is a (factorized) Gaussian. We show that all the considered divergences can be \textit{ordered} based on the estimates of uncertainty they yield as objective functions for~VI. Finally, we empirically evaluate the validity of this ordering when the target distribution $p$ is not Gaussian.
The remarkable efficacy of text-to-image diffusion models has motivated extensive exploration of their potential application in video domains. Zero-shot methods seek to extend image diffusion models to videos without necessitating model training. Recent methods mainly focus on incorporating inter-frame correspondence into attention mechanisms. However, the soft constraint imposed on determining where to attend to valid features can sometimes be insufficient, resulting in temporal inconsistency. In this paper, we introduce FRESCO, intra-frame correspondence alongside inter-frame correspondence to establish a more robust spatial-temporal constraint. This enhancement ensures a more consistent transformation of semantically similar content across frames. Beyond mere attention guidance, our approach involves an explicit update of features to achieve high spatial-temporal consistency with the input video, significantly improving the visual coherence of the resulting translated videos. Extensive experiments demonstrate the effectiveness of our proposed framework in producing high-quality, coherent videos, marking a notable improvement over existing zero-shot methods.
An essential requirement for a real-world Knowledge Base Question Answering (KBQA) system is the ability to detect the answerability of questions when generating logical forms. However, state-of-the-art KBQA models assume all questions to be answerable. Recent research has found that such models, when superficially adapted to detect answerability, struggle to satisfactorily identify the different categories of unanswerable questions, and simultaneously preserve good performance for answerable questions. Towards addressing this issue, we propose RetinaQA, a new KBQA model that unifies two key ideas in a single KBQA architecture: (a) discrimination over candidate logical forms, rather than generating these, for handling schema-related unanswerability, and (b) sketch-filling-based construction of candidate logical forms for handling data-related unaswerability. Our results show that RetinaQA significantly outperforms adaptations of state-of-the-art KBQA models in handling both answerable and unanswerable questions and demonstrates robustness across all categories of unanswerability. Notably, RetinaQA also sets a new state-of-the-art for answerable KBQA, surpassing existing models.
Biclustering, also called co-clustering, block clustering, or two-way clustering, involves the simultaneous clustering of both the rows and columns of a data matrix into distinct groups, such that the rows and columns within a group display similar patterns. As a model problem for biclustering, we consider the $k$-densest-disjoint biclique problem, whose goal is to identify $k$ disjoint complete bipartite subgraphs (called bicliques) of a given weighted complete bipartite graph such that the sum of their densities is maximized. To address this problem, we present a tailored branch-and-cut algorithm. For the upper bound routine, we consider a semidefinite programming relaxation and propose valid inequalities to strengthen the bound. We solve this relaxation in a cutting-plane fashion using a first-order method. For the lower bound, we design a maximum weight matching rounding procedure that exploits the solution of the relaxation solved at each node. Computational results on both synthetic and real-world instances show that the proposed algorithm can solve instances approximately 20 times larger than those handled by general-purpose solvers.
Explaining outliers occurrence and mechanism of their occurrence can be extremely important in a variety of domains. Malfunctions, frauds, threats, in addition to being correctly identified, oftentimes need a valid explanation in order to effectively perform actionable counteracts. The ever more widespread use of sophisticated Machine Learning approach to identify anomalies make such explanations more challenging. We present the Decision Tree Outlier Regressor (DTOR), a technique for producing rule-based explanations for individual data points by estimating anomaly scores generated by an anomaly detection model. This is accomplished by first applying a Decision Tree Regressor, which computes the estimation score, and then extracting the relative path associated with the data point score. Our results demonstrate the robustness of DTOR even in datasets with a large number of features. Additionally, in contrast to other rule-based approaches, the generated rules are consistently satisfied by the points to be explained. Furthermore, our evaluation metrics indicate comparable performance to Anchors in outlier explanation tasks, with reduced execution time.
Barrier functions are a general framework for establishing a safety guarantee for a system. However, there is no general method for finding these functions. To address this shortcoming, recent approaches use self-supervised learning techniques to learn these functions using training data that are periodically generated by a verification procedure, leading to a verification-aided learning framework. Despite its immense potential in automating barrier function synthesis, the verification-aided learning framework does not have termination guarantees and may suffer from a low success rate of finding a valid barrier function in practice. In this paper, we propose a holistic approach to address these drawbacks. With a convex formulation of the barrier function synthesis, we propose to first learn an empirically well-behaved NN basis function and then apply a fine-tuning algorithm that exploits the convexity and counterexamples from the verification failure to find a valid barrier function with finite-step termination guarantees: if there exist valid barrier functions, the fine-tuning algorithm is guaranteed to find one in a finite number of iterations. We demonstrate that our fine-tuning method can significantly boost the performance of the verification-aided learning framework on examples of different scales and using various neural network verifiers.
Conformal prediction builds marginally valid prediction intervals that cover the unknown outcome of a randomly drawn test point with a prescribed probability. However, in practice, data-driven methods are often used to identify specific test unit(s) of interest, requiring uncertainty quantification tailored to these focal units. In such cases, marginally valid conformal prediction intervals may fail to provide valid coverage for the focal unit(s) due to selection bias. This paper presents a general framework for constructing a prediction set with finite-sample exact coverage, conditional on the unit being selected by a given procedure. The general form of our method accommodates arbitrary selection rules that are invariant to the permutation of the calibration units, and generalizes Mondrian Conformal Prediction to multiple test units and non-equivariant classifiers. We also work out computationally efficient implementation of our framework for a number of realistic selection rules, including top-K selection, optimization-based selection, selection based on conformal p-values, and selection based on properties of preliminary conformal prediction sets. The performance of our methods is demonstrated via applications in drug discovery and health risk prediction.
Conformal prediction (CP) has been a popular method for uncertainty quantification because it is distribution-free, model-agnostic, and theoretically sound. For forecasting problems in supervised learning, most CP methods focus on building prediction intervals for univariate responses. In this work, we develop a sequential CP method called $\texttt{MultiDimSPCI}$ that builds prediction $\textit{regions}$ for a multivariate response, especially in the context of multivariate time series, which are not exchangeable. Theoretically, we estimate $\textit{finite-sample}$ high-probability bounds on the conditional coverage gap. Empirically, we demonstrate that $\texttt{MultiDimSPCI}$ maintains valid coverage on a wide range of multivariate time series while producing smaller prediction regions than CP and non-CP baselines.
Recently, there has been a surge of interest in incorporating neural networks into particle filters, e.g. differentiable particle filters, to perform joint sequential state estimation and model learning for non-linear non-Gaussian state-space models in complex environments. Existing differentiable particle filters are mostly constructed with vanilla neural networks that do not allow density estimation. As a result, they are either restricted to a bootstrap particle filtering framework or employ predefined distribution families (e.g. Gaussian distributions), limiting their performance in more complex real-world scenarios. In this paper we present a differentiable particle filtering framework that uses (conditional) normalizing flows to build its dynamic model, proposal distribution, and measurement model. This not only enables valid probability densities but also allows the proposed method to adaptively learn these modules in a flexible way, without being restricted to predefined distribution families. We derive the theoretical properties of the proposed filters and evaluate the proposed normalizing flow-based differentiable particle filters' performance through a series of numerical experiments.
Inspired by the concept of active learning, we propose active inference$\unicode{x2013}$a methodology for statistical inference with machine-learning-assisted data collection. Assuming a budget on the number of labels that can be collected, the methodology uses a machine learning model to identify which data points would be most beneficial to label, thus effectively utilizing the budget. It operates on a simple yet powerful intuition: prioritize the collection of labels for data points where the model exhibits uncertainty, and rely on the model's predictions where it is confident. Active inference constructs provably valid confidence intervals and hypothesis tests while leveraging any black-box machine learning model and handling any data distribution. The key point is that it achieves the same level of accuracy with far fewer samples than existing baselines relying on non-adaptively-collected data. This means that for the same number of collected samples, active inference enables smaller confidence intervals and more powerful p-values. We evaluate active inference on datasets from public opinion research, census analysis, and proteomics.
Simpson's paradox is an obstacle to establishing a probabilistic association between two events $a_1$ and $a_2$, given the third (lurking) random variable $B$. We focus on scenarios when the random variables $A$ (which combines $a_1$, $a_2$, and their complements) and $B$ have a common cause $C$ that need not be observed. Alternatively, we can assume that $C$ screens out $A$ from $B$. For such cases, the correct association between $a_1$ and $a_2$ is to be defined via conditioning over $C$. This setup generalizes the original Simpson's paradox: now its two contradicting options refer to two particular and different causes $C$. We show that if $B$ and $C$ are binary and $A$ is quaternary (the minimal and the most widespread situation for the Simpson's paradox), the conditioning over any binary common cause $C$ establishes the same direction of association between $a_1$ and $a_2$ as the conditioning over $B$ in the original formulation of the paradox. Thus, for the minimal common cause, one should choose the option of Simpson's paradox that assumes conditioning over $B$ and not its marginalization. The same conclusion is reached when Simpson's paradox is formulated via 3 continuous Gaussian variables: within the minimal formulation of the paradox (3 scalar continuous variables $A_1$, $A_2$, and $B$), one should choose the option with the conditioning over $B$.
LLMs are widely used in complex AI applications. These applications underscore the need for LLM outputs to adhere to a specific format, for their integration with other components in the systems. Typically the format rules e.g., for data serialization formats such as JSON, YAML, or Code in Programming Language are expressed as context-free grammar (CFG). Due to the hallucinations and unreliability of LLMs, instructing LLMs to adhere to specified syntax becomes an increasingly important challenge. We present SynCode, a novel framework for efficient and general syntactical decoding with LLMs, to address this challenge. SynCode ensures soundness and completeness with respect to the CFG of a formal language, effectively retaining valid tokens while filtering out invalid ones. SynCode uses an offline-constructed, efficient lookup table, the DFA mask store, derived from the DFA of the language's grammar for efficient generation. SynCode seamlessly integrates with any language defined by CFG, as evidenced by experiments focusing on generating JSON, Python, and Go outputs. Our experiments evaluating the effectiveness of SynCode for JSON generation demonstrate that SynCode eliminates all syntax errors and significantly outperforms state-of-the-art baselines. Furthermore, our results underscore how SynCode significantly reduces 96.07% of syntax errors in generated Python and Go code, showcasing its substantial impact on enhancing syntactical precision in LLM generation. Our code is available at https://github.com/uiuc-focal-lab/syncode
Automatically generating feedback via large language models (LLMs) in intelligent tutoring systems and online learning platforms has the potential to improve the learning outcomes of many students. However, both feedback generation and evaluation are challenging: feedback content has to be valid especially in subjects like math, which requires models to understand the problem, the solution, and where the student's error lies. Feedback also has to be pedagogically valid to reflect effective tutoring strategies, such as explaining possible misconceptions and encouraging the student, among other desirable features. In this work, we address both problems of automatically generating and evaluating feedback while considering both correctness and alignment. First, we propose a rubric for evaluating math feedback and show that GPT-4 is able to effectively use it to annotate human-written and LLM-generated feedback. Second, we propose a framework for feedback generation that optimizes both correctness and alignment using reinforcement learning (RL). Specifically, we use GPT-4's annotations to create preferences over feedback pairs in an augmented dataset for training via direct preference optimization (DPO). We show that our methods significantly increase the correctness and alignment of generated feedback with Llama 2, an open-source LLM, qualitatively analyze our generation and evaluation systems using case studies, and outline several areas for future work.
Rationales in the form of manually annotated input spans usually serve as ground truth when evaluating explainability methods in NLP. They are, however, time-consuming and often biased by the annotation process. In this paper, we debate whether human gaze, in the form of webcam-based eye-tracking recordings, poses a valid alternative when evaluating importance scores. We evaluate the additional information provided by gaze data, such as total reading times, gaze entropy, and decoding accuracy with respect to human rationale annotations. We compare WebQAmGaze, a multilingual dataset for information-seeking QA, with attention and explainability-based importance scores for 4 different multilingual Transformer-based language models (mBERT, distil-mBERT, XLMR, and XLMR-L) and 3 languages (English, Spanish, and German). Our pipeline can easily be applied to other tasks and languages. Our findings suggest that gaze data offers valuable linguistic insights that could be leveraged to infer task difficulty and further show a comparable ranking of explainability methods to that of human rationales.
Multi-objective optimization problems can be found in many real-world applications, where the objectives often conflict each other and cannot be optimized by a single solution. In the past few decades, numerous methods have been proposed to find Pareto solutions that represent optimal trade-offs among the objectives for a given problem. However, these existing methods could have high computational complexity or may not have good theoretical properties for solving a general differentiable multi-objective optimization problem. In this work, by leveraging the smooth optimization technique, we propose a lightweight and efficient smooth Tchebycheff scalarization approach for gradient-based multi-objective optimization. It has good theoretical properties for finding all Pareto solutions with valid trade-off preferences, while enjoying significantly lower computational complexity compared to other methods. Experimental results on various real-world application problems fully demonstrate the effectiveness of our proposed method.
Hybrid models composing mechanistic ODE-based dynamics with flexible and expressive neural network components have grown rapidly in popularity, especially in scientific domains where such ODE-based modeling offers important interpretability and validated causal grounding (e.g., for counterfactual reasoning). The incorporation of mechanistic models also provides inductive bias in standard blackbox modeling approaches, critical when learning from small datasets or partially observed, complex systems. Unfortunately, as the hybrid models become more flexible, the causal grounding provided by the mechanistic model can quickly be lost. We address this problem by leveraging another common source of domain knowledge: \emph{ranking} of treatment effects for a set of interventions, even if the precise treatment effect is unknown. We encode this information in a \emph{causal loss} that we combine with the standard predictive loss to arrive at a \emph{hybrid loss} that biases our learning towards causally valid hybrid models. We demonstrate our ability to achieve a win-win, state-of-the-art predictive performance \emph{and} causal validity, in the challenging task of modeling glucose dynamics post-exercise in individuals with type 1 diabetes.