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The $2$-Wasserstein distance is sensitive to minor geometric differences between distributions, making it a very powerful dissimilarity metric. However, due to this sensitivity, a small outlier mass can also cause a significant increase in the $2$-Wasserstein distance between two similar distributions. Similarly, sampling discrepancy can cause the empirical $2$-Wasserstein distance on $n$ samples in $\mathbb{R}^2$ to converge to the true distance at a rate of $n^{-1/4}$, which is significantly slower than the rate of $n^{-1/2}$ for $1$-Wasserstein distance. We introduce a new family of distances parameterized by $k \ge 0$, called $k$-RPW that is based on computing the partial $2$-Wasserstein distance. We show that (1) $k$-RPW satisfies the metric properties, (2) $k$-RPW is robust to small outlier mass while retaining the sensitivity of $2$-Wasserstein distance to minor geometric differences, and (3) when $k$ is a constant, $k$-RPW distance between empirical distributions on $n$ samples in $\mathbb{R}^2$ converges to the true distance at a rate of $n^{-1/3}$, which is faster than the convergence rate of $n^{-1/4}$ for the $2$-Wasserstein distance. Using the partial $p$-Wasserstein distance, we extend our distance to any $p \in [1,\infty]$. By setting parameters $k$ or $p$ appropriately, we can reduce our distance to the total variation, $p$-Wasserstein, and the L\'evy-Prokhorov distances. Experiments show that our distance function achieves higher accuracy in comparison to the $1$-Wasserstein, $2$-Wasserstein, and TV distances for image retrieval tasks on noisy real-world data sets.

In this paper, we delve into several mechanisms employed by Transformer-based language models (LLMs) for factual recall tasks. We outline a pipeline consisting of three major steps: (1) Given a prompt ``The capital of France is,'' task-specific attention heads extract the topic token, such as ``France,'' from the context and pass it to subsequent MLPs. (2) As attention heads' outputs are aggregated with equal weight and added to the residual stream, the subsequent MLP acts as an ``activation,'' which either erases or amplifies the information originating from individual heads. As a result, the topic token ``France'' stands out in the residual stream. (3) A deep MLP takes ``France'' and generates a component that redirects the residual stream towards the direction of the correct answer, i.e., ``Paris.'' This procedure is akin to applying an implicit function such as ``get\_capital($X$),'' and the argument $X$ is the topic token information passed by attention heads. To achieve the above quantitative and qualitative analysis for MLPs, we proposed a novel analytic method aimed at decomposing the outputs of the MLP into components understandable by humans. Additionally, we observed a universal anti-overconfidence mechanism in the final layer of models, which suppresses correct predictions. We mitigate this suppression by leveraging our interpretation to improve factual recall confidence. The above interpretations are evaluated across diverse tasks spanning various domains of factual knowledge, using various language models from the GPT-2 families, 1.3B OPT, up to 7B Llama-2, and in both zero- and few-shot setups.

Printing custom DNA sequences is essential to scientific and biomedical research, but the technology can be used to manufacture plagues as well as cures. Just as ink printers recognize and reject attempts to counterfeit money, DNA synthesizers and assemblers should deny unauthorized requests to make viral DNA that could be used to ignite a pandemic. There are three complications. First, we don't need to quickly update printers to deal with newly discovered currencies, whereas we regularly learn of new viruses and other biological threats. Second, anti-counterfeiting specifications on a local printer can't be extracted and misused by malicious actors, unlike information on biological threats. Finally, any screening must keep the inspected DNA sequences private, as they may constitute valuable trade secrets. Here we describe SecureDNA, a free, privacy-preserving, and fully automated system capable of verifiably screening all DNA synthesis orders of 30+ base pairs against an up-to-date database of hazards, and its operational performance and specificity when applied to 67 million base pairs of DNA synthesized by providers in the United States, Europe, and China., Comment: Main text 10 pages, 4 figures. 5 supplementary figures. Total 21 pages. Direct correspondence to: Ivan B. Damgard (ivan@cs.au.dk), Andrew C. Yao (andrewcyao@mail.tsinghua.edu.cn), Kevin M. Esvelt (esvelt@mit.edu)

In this paper, by treating in-context learning (ICL) as a meta-optimization process, we explain why LLMs are sensitive to the order of ICL examples. This understanding leads us to the development of Batch-ICL, an effective, efficient, and order-agnostic inference algorithm for ICL. Differing from the standard N-shot learning approach, Batch-ICL employs $N$ separate 1-shot forward computations and aggregates the resulting meta-gradients. These aggregated meta-gradients are then applied to the forward computation of a zero-shot query to generate the final prediction. This batch processing approach renders the LLM agnostic to the order of ICL examples. Through extensive experiments and analysis, we demonstrate that Batch-ICL consistently outperforms most permutations of ICL examples. In some cases, it even exceeds the performance of the best order for standard ICL, all while reducing the computational resources required. Furthermore, we develop a novel variant of Batch-ICL featuring multiple "epochs" of meta-optimization. This variant implicitly explores permutations of ICL examples, further enhancing ICL performance., Comment: This paper has been accepted by ACL 2024 (Findings)

Ideal part editing should guarantee the diversity of edited parts, the fidelity to the remaining parts, and the quality of the results. However, previous methods do not disentangle each part completely, which means the edited parts will affect the others, resulting in poor diversity and fidelity. In addition, some methods lack constraints between parts, which need manual selections of edited results to ensure quality. Therefore, we propose a four-stage process for point cloud part editing: Segmentation, Generation, Assembly, and Selection. Based on this process, we introduce SGAS, a model for part editing that employs two strategies: feature disentanglement and constraint. By independently fitting part-level feature distributions, we realize the feature disentanglement. By explicitly modeling the transformation from object-level distribution to part-level distributions, we realize the feature constraint. Considerable experiments on different datasets demonstrate the efficiency and effectiveness of SGAS on point cloud part editing. In addition, SGAS can be pruned to realize unsupervised part-aware point cloud generation and achieves state-of-the-art results., Comment: 9 pages, 7 figures, AAAI 2024

Recent studies have highlighted a phenomenon in large language models (LLMs) known as "the reversal curse," in which the order of knowledge entities in the training data biases the models' comprehension. For example, if a model is trained on sentences where entity A consistently appears before entity B, it can respond to queries about A by providing B as the answer. However, it may encounter confusion when presented with questions concerning B. We contend that the reversal curse is partially a result of specific model training objectives, particularly evident in the prevalent use of the next-token prediction within most causal language models. For the next-token prediction, models solely focus on a token's preceding context, resulting in a restricted comprehension of the input. In contrast, we illustrate that the GLM, trained using the autoregressive blank infilling objective where tokens to be predicted have access to the entire context, exhibits better resilience against the reversal curse. We propose a novel training method, BIdirectional Casual language modeling Optimization (BICO), designed to mitigate the reversal curse when fine-tuning pretrained causal language models on new data. BICO modifies the causal attention mechanism to function bidirectionally and employs a mask denoising optimization. In the task designed to assess the reversal curse, our approach improves Llama's accuracy from the original 0% to around 70%. We hope that more attention can be focused on exploring and addressing these inherent weaknesses of the current LLMs, in order to achieve a higher level of intelligence.

We present angle-uniform parallel coordinates, a data-independent technique that deforms the image plane of parallel coordinates so that the angles of linear relationships between two variables are linearly mapped along the horizontal axis of the parallel coordinates plot. Despite being a common method for visualizing multidimensional data, parallel coordinates are ineffective for revealing positive correlations since the associated parallel coordinates points of such structures may be located at infinity in the image plane and the asymmetric encoding of negative and positive correlations may lead to unreliable estimations. To address this issue, we introduce a transformation that bounds all points horizontally using an angle-uniform mapping and shrinks them vertically in a structure-preserving fashion; polygonal lines become smooth curves and a symmetric representation of data correlations is achieved. We further propose a combined subsampling and density visualization approach to reduce visual clutter caused by overdrawing. Our method enables accurate visual pattern interpretation of data correlations, and its data-independent nature makes it applicable to all multidimensional datasets. The usefulness of our method is demonstrated using examples of synthetic and real-world datasets., Comment: Computational Visual Media, 2023

Optimal Transport is a popular distance metric for measuring similarity between distributions. Exact algorithms for computing Optimal Transport can be slow, which has motivated the development of approximate numerical solvers (e.g. Sinkhorn method). We introduce a new and very simple combinatorial approach to find an $\varepsilon$-approximation of the OT distance. Our algorithm achieves a near-optimal execution time of $O(n^2/\varepsilon^2)$ for computing OT distance and, for the special case of the assignment problem, the execution time improves to $O(n^2/\varepsilon)$. Our algorithm is based on the push-relabel framework for min-cost flow problems. Unlike the other combinatorial approach (Lahn, Mulchandani and Raghvendra, NeurIPS 2019) which does not have a fast parallel implementation, our algorithm has a parallel execution time of $O(\log n/\varepsilon^2)$. Interestingly, unlike the Sinkhorn algorithm, our method also readily provides a compact transport plan as well as a solution to an approximate version of the dual formulation of the OT problem, both of which have numerous applications in Machine Learning. For the assignment problem, we provide both a CPU implementation as well as an implementation that exploits GPU parallelism. Experiments suggest that our algorithm is faster than the Sinkhorn algorithm, both in terms of CPU and GPU implementations, especially while computing matchings with a high accuracy.

Given partial objects and some complete ones as references, point cloud completion aims to recover authentic shapes. However, existing methods pay little attention to general shapes, which leads to the poor authenticity of completion results. Besides, the missing patterns are diverse in reality, but existing methods can only handle fixed ones, which means a poor generalization ability. Considering that a partial point cloud is a subset of the corresponding complete one, we regard them as different samples of the same distribution and propose Structure Retrieval based Point Completion Network (SRPCN). It first uses k-means clustering to extract structure points and disperses them into distributions, and then KL Divergence is used as a metric to find the complete structure point cloud that best matches the input in a database. Finally, a PCN-like decoder network is adopted to generate the final results based on the retrieved structure point clouds. As structure plays an important role in describing the general shape of an object and the proposed structure retrieval method is robust to missing patterns, experiments show that our method can generate more authentic results and has a stronger generalization ability., Comment: I think the proposed method has some defects

In point cloud generation and completion, previous methods for transforming latent features to point clouds are generally based on fully connected layers (FC-based) or folding operations (Folding-based). However, point clouds generated by FC-based methods are usually troubled by outliers and rough surfaces. For folding-based methods, their data flow is large, convergence speed is slow, and they are also hard to handle the generation of non-smooth surfaces. In this work, we propose AXform, an attention-based method to transform latent features to point clouds. AXform first generates points in an interim space, using a fully connected layer. These interim points are then aggregated to generate the target point cloud. AXform takes both parameter sharing and data flow into account, which makes it has fewer outliers, fewer network parameters, and a faster convergence speed. The points generated by AXform do not have the strong 2-manifold constraint, which improves the generation of non-smooth surfaces. When AXform is expanded to multiple branches for local generations, the centripetal constraint makes it has properties of self-clustering and space consistency, which further enables unsupervised semantic segmentation. We also adopt this scheme and design AXformNet for point cloud completion. Considerable experiments on different datasets show that our methods achieve state-of-the-art results., Comment: 9 pages, 7 figures, AAAI 2022