A pressing issue in the adoption of AI models is the increasing demand for more human-centric explanations of their predictions. To advance towards more human-centric explanations, understanding how humans produce and select explanations has been beneficial. In this work, inspired by insights of human cognition we propose and test the incorporation of two novel biases to enhance the search for effective counterfactual explanations. Central to our methodology is the application of diffusion distance, which emphasizes data connectivity and actionability in the search for feasible counterfactual explanations. In particular, diffusion distance effectively weights more those points that are more interconnected by numerous short-length paths. This approach brings closely connected points nearer to each other, identifying a feasible path between them. We also introduce a directional coherence term that allows the expression of a preference for the alignment between the joint and marginal directional changes in feature space to reach a counterfactual. This term enables the generation of counterfactual explanations that align with a set of marginal predictions based on expectations of how the outcome of the model varies by changing one feature at a time. We evaluate our method, named Coherent Directional Counterfactual Explainer (CoDiCE), and the impact of the two novel biases against existing methods such as DiCE, FACE, Prototypes, and Growing Spheres. Through a series of ablation experiments on both synthetic and real datasets with continuous and mixed-type features, we demonstrate the effectiveness of our method.
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We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former comes from the lack of knowledge about the ground truth (such as about facts or the language), and the latter comes from irreducible randomness (such as multiple possible answers). In particular, we derive an information-theoretic metric that allows to reliably detect when only epistemic uncertainty is large, in which case the output of the model is unreliable. This condition can be computed based solely on the output of the model obtained simply by some special iterative prompting based on the previous responses. Such quantification, for instance, allows to detect hallucinations (cases when epistemic uncertainty is high) in both single- and multi-answer responses. This is in contrast to many standard uncertainty quantification strategies (such as thresholding the log-likelihood of a response) where hallucinations in the multi-answer case cannot be detected. We conduct a series of experiments which demonstrate the advantage of our formulation. Further, our investigations shed some light on how the probabilities assigned to a given output by an LLM can be amplified by iterative prompting, which might be of independent interest.
Compared to minutia-based fingerprint representations, fixed-length representations are attractive due to simple and efficient matching. However, fixed-length fingerprint representations are limited in accuracy when matching fingerprints with different visible areas, which can occur due to different finger poses or acquisition methods. To address this issue, we propose a localized deep representation of fingerprint, named LDRF. By focusing on the discriminative characteristics within local regions, LDRF provides a more robust and accurate fixed-length representation for fingerprints with variable visible areas. LDRF can be adapted to retain information within any valid area, making it highly flexible. The matching scores produced by LDRF also exhibit intuitive statistical characteristics, which led us to propose a matching score normalization technique to mitigate the uncertainty in the cases of very small overlapping area. With this new technique, we can maintain a high level of accuracy and reliability in our fingerprint matching, even as the size of the database grows rapidly. Our experimental results on 21 datasets containing over 140K fingerprints of various finger poses and impression types show that LDRF outperforms other fixed-length representations and is robust to sensing technologies and impression types. Besides, the proposed matching score normalization effectively reduces the false match rate (FMR) in large-scale identification experiments comprising over 5.11 million fingerprints. Specifically, this technique results in a reduction of two orders of magnitude compared to matching without matching score normalization and five orders of magnitude compared to prior works.
This paper presents an in-depth exploration of 3D human model and avatar generation technology, propelled by the rapid advancements in large-scale models and artificial intelligence. The paper reviews the comprehensive process of 3D human model generation, from scanning to rendering, and highlights the pivotal role these models play in entertainment, VR, AR, healthcare, and education. We underscore the significance of diffusion models in generating high-fidelity images and videos. It emphasizes the indispensable nature of 3D human models in enhancing user experiences and functionalities across various fields. Furthermore, this paper anticipates the potential of integrating large-scale models with deep learning to revolutionize 3D content generation, offering insights into the future prospects of the technology. It concludes by emphasizing the importance of continuous innovation in the field, suggesting that ongoing advancements will significantly expand the capabilities and applications of 3D human models and avatars.
Recent work has provided indirect evidence that pretraining language models on code improves the ability of models to track state changes of discourse entities expressed in natural language. In this work, we systematically test this claim by comparing pairs of language models on their entity tracking performance. Critically, the pairs consist of base models and models trained on top of these base models with additional code data. We extend this analysis to additionally examine the effect of math training, another highly structured data type, and alignment tuning, an important step for enhancing the usability of models. We find clear evidence that models additionally trained on large amounts of code outperform the base models. On the other hand, we find no consistent benefit of additional math training or alignment tuning across various model families.
Despite the strong performance of large language models (LLMs) across a wide range of tasks, they still have reliability issues. Previous studies indicate that strong LLMs like GPT-4-turbo excel in evaluating the reliability of responses from LLMs, but face efficiency and local deployment issues. Thus, to enable weak LLMs to effectively assess the reliability of LLM responses, we propose a novel cross-query-comparison-based method called $\textit{Meta Ranking}$ (MR). Unlike previous few-shot methods that solely based on in-context learning capabilities in LLMs, MR assesses reliability by pairwisely ranking the target query-response pair with multiple reference query-response pairs. We found that MR is highly effective in error detection for LLM responses, where weak LLMs, such as Phi-2, could surpass strong baselines like GPT-3.5-turbo, requiring only five reference samples and significantly improving efficiency. We further demonstrate that MR can enhance strong LLMs' performance in two practical applications: model cascading and instruction tuning. In model cascading, we combine open- and closed-source LLMs to achieve performance comparable to GPT-4-turbo with lower costs. In instruction tuning, we use MR for iterative training data filtering, significantly reducing data processing time and enabling LLaMA-7B and Phi-2 to surpass Alpaca-13B with fewer training tokens. These results underscore the high potential of MR in both efficiency and effectiveness.
Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.
Pre-trained deep neural network language models such as ELMo, GPT, BERT and XLNet have recently achieved state-of-the-art performance on a variety of language understanding tasks. However, their size makes them impractical for a number of scenarios, especially on mobile and edge devices. In particular, the input word embedding matrix accounts for a significant proportion of the model's memory footprint, due to the large input vocabulary and embedding dimensions. Knowledge distillation techniques have had success at compressing large neural network models, but they are ineffective at yielding student models with vocabularies different from the original teacher models. We introduce a novel knowledge distillation technique for training a student model with a significantly smaller vocabulary as well as lower embedding and hidden state dimensions. Specifically, we employ a dual-training mechanism that trains the teacher and student models simultaneously to obtain optimal word embeddings for the student vocabulary. We combine this approach with learning shared projection matrices that transfer layer-wise knowledge from the teacher model to the student model. Our method is able to compress the BERT_BASE model by more than 60x, with only a minor drop in downstream task metrics, resulting in a language model with a footprint of under 7MB. Experimental results also demonstrate higher compression efficiency and accuracy when compared with other state-of-the-art compression techniques.
High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.
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