Extensive empirical evidence demonstrates that conditional generative models are easier to train and perform better than unconditional ones by exploiting the labels of data. So do score-based diffusion models. In this paper, we analyze the phenomenon formally and identify that the key of conditional learning is to partition the data properly. Inspired by the analyses, we propose self-conditioned diffusion models (SCDM), which is trained conditioned on indices clustered by the k-means algorithm on the features extracted by a model pre-trained in a self-supervised manner. SCDM significantly improves the unconditional model across various datasets and achieves a record-breaking FID of 3.94 on ImageNet 64x64 without labels. Besides, SCDM achieves a slightly better FID than the corresponding conditional model on CIFAR10.

Abstract--A clustering termination procedure which is locally adaptive (with respect to the hierarchical tree of sets representative of the agglomerative merging) is proposed, for agglomerative hierarchical clustering on a set equipped with a distance function. It represents a multi-scale alternative to conventional scale dependent threshold based termination criteria. We trim the tree at specific locations by studying cumulative extreme values of rates of change of parameters along paths of the agglomeration hierarchy, each path representing the "history" of successive merges with respect to an initial set. Thus the method considers the smallest localities. We refer to this qualitative phenomenon as geometric "paradigm shift".

We leverage probabilistic models of neural representations to investigate how residual networks fit classes. To this end, we estimate class-conditional density models for representations learned by deep ResNets. We then use these models to characterize distributions of representations across learned classes. Surprisingly, we find that classes in the investigated models are not fitted in an uniform way. On the contrary: we uncover two groups of classes that are fitted with markedly different distributions of representations. These distinct modes of class-fitting are evident only in the deeper layers of the investigated models, indicating that they are not related to low-level image features. We show that the uncovered structure in neural representations correlate with memorization of training examples and adversarial robustness. Finally, we compare class-conditional distributions of neural representations between memorized and typical examples. This allows us to uncover where in the network structure class labels arise for memorized and standard inputs.

Surrogate algorithms such as Bayesian optimisation are especially designed for black-box optimisation problems with expensive objectives, such as hyperparameter tuning or simulation-based optimisation. In the literature, these algorithms are usually evaluated with synthetic benchmarks which are well established but have no expensive objective, and only on one or two real-life applications which vary wildly between papers. There is a clear lack of standardisation when it comes to benchmarking surrogate algorithms on real-life, expensive, black-box objective functions. This makes it very difficult to draw conclusions on the effect of algorithmic contributions and to give substantial advice on which method to use when. A new benchmark library, EXPObench, provides first steps towards such a standardisation. The library is used to provide an extensive comparison of six different surrogate algorithms on four expensive optimisation problems from different real-life applications. This has led to new insights regarding the relative importance of exploration, the evaluation time of the objective, and the used model. We also provide rules of thumb for which surrogate algorithm to use in which situation. A further contribution is that we make the algorithms and benchmark problem instances publicly available, contributing to more uniform analysis of surrogate algorithms. Most importantly, we include the performance of the six algorithms on all evaluated problem instances. This results in a unique new dataset that lowers the bar for researching new methods as the number of expensive evaluations required for comparison is significantly reduced.

Deep Metric Learning (DML) is a group of techniques that aim to measure the similarity between objects through the neural network. Although the number of DML methods has rapidly increased in recent years, most previous studies cannot effectively handle noisy data, which commonly exists in practical applications and often leads to serious performance deterioration. To overcome this limitation, in this paper, we build a connection between noisy samples and hard samples in the framework of self-paced learning, and propose a \underline{B}alanced \underline{S}elf-\underline{P}aced \underline{M}etric \underline{L}earning (BSPML) algorithm with a denoising multi-similarity formulation, where noisy samples are treated as extremely hard samples and adaptively excluded from the model training by sample weighting. Especially, due to the pairwise relationship and a new balance regularization term, the sub-problem \emph{w.r.t.} sample weights is a nonconvex quadratic function. To efficiently solve this nonconvex quadratic problem, we propose a doubly stochastic projection coordinate gradient algorithm. Importantly, we theoretically prove the convergence not only for the doubly stochastic projection coordinate gradient algorithm, but also for our BSPML algorithm. Experimental results on several standard data sets demonstrate that our BSPML algorithm has better generalization ability and robustness than the state-of-the-art robust DML approaches.

The Shapley value (SV) is adopted in various scenarios in machine learning (ML), including data valuation, agent valuation, and feature attribution, as it satisfies their fairness requirements. However, as exact SVs are infeasible to compute in practice, SV estimates are approximated instead. This approximation step raises an important question: do the SV estimates preserve the fairness guarantees of exact SVs? We observe that the fairness guarantees of exact SVs are too restrictive for SV estimates. Thus, we generalise Shapley fairness to probably approximate Shapley fairness and propose fidelity score, a metric to measure the variation of SV estimates, that determines how probable the fairness guarantees hold. Our last theoretical contribution is a novel greedy active estimation (GAE) algorithm that will maximise the lowest fidelity score and achieve a better fairness guarantee than the de facto Monte-Carlo estimation. We empirically verify GAE outperforms several existing methods in guaranteeing fairness while remaining competitive in estimation accuracy in various ML scenarios using real-world datasets.

This paper revisits building machine learning algorithms that involve interactions between entities, such as those between financial assets in an actively managed portfolio, or interactions between users in a social network. Our goal is to forecast the future evolution of ensembles of multivariate time series in such applications (e.g., the future return of a financial asset or the future popularity of a Twitter account). Designing ML algorithms for such systems requires addressing the challenges of high-dimensional interactions and non-linearity. Existing approaches usually adopt an ad-hoc approach to integrating high-dimensional techniques into non-linear models and recent studies have shown these approaches have questionable efficacy in time-evolving interacting systems. To this end, we propose a novel framework, which we dub as the additive influence model. Under our modeling assumption, we show that it is possible to decouple the learning of high-dimensional interactions from the learning of non-linear feature interactions. To learn the high-dimensional interactions, we leverage kernel-based techniques, with provable guarantees, to embed the entities in a low-dimensional latent space. To learn the non-linear feature-response interactions, we generalize prominent machine learning techniques, including designing a new statistically sound non-parametric method and an ensemble learning algorithm optimized for vector regressions. Extensive experiments on two common applications demonstrate that our new algorithms deliver significantly stronger forecasting power compared to standard and recently proposed methods.

Training effective embodied AI agents often involves manual reward engineering, expert imitation, specialized components such as maps, or leveraging additional sensors for depth and localization. Another approach is to use neural architectures alongside self-supervised objectives which encourage better representation learning. In practice, there are few guarantees that these self-supervised objectives encode task-relevant information. We propose the Scene Graph Contrastive (SGC) loss, which uses scene graphs as general-purpose, training-only, supervisory signals. The SGC loss does away with explicit graph decoding and instead uses contrastive learning to align an agent's representation with a rich graphical encoding of its environment. The SGC loss is generally applicable, simple to implement, and encourages representations that encode objects' semantics, relationships, and history. Using the SGC loss, we attain significant gains on three embodied tasks: Object Navigation, Multi-Object Navigation, and Arm Point Navigation. Finally, we present studies and analyses which demonstrate the ability of our trained representation to encode semantic cues about the environment.

Vertical federated learning is a trending solution for multi-party collaboration in training machine learning models. Industrial frameworks adopt secure multi-party computation methods such as homomorphic encryption to guarantee data security and privacy. However, a line of work has revealed that there are still leakage risks in VFL. The leakage is caused by the correlation between the intermediate representations and the raw data. Due to the powerful approximation ability of deep neural networks, an adversary can capture the correlation precisely and reconstruct the data. To deal with the threat of the data reconstruction attack, we propose a hashing-based VFL framework, called \textit{HashVFL}, to cut off the reversibility directly. The one-way nature of hashing allows our framework to block all attempts to recover data from hash codes. However, integrating hashing also brings some challenges, e.g., the loss of information. This paper proposes and addresses three challenges to integrating hashing: learnability, bit balance, and consistency. Experimental results demonstrate \textit{HashVFL}'s efficiency in keeping the main task's performance and defending against data reconstruction attacks. Furthermore, we also analyze its potential value in detecting abnormal inputs. In addition, we conduct extensive experiments to prove \textit{HashVFL}'s generalization in various settings. In summary, \textit{HashVFL} provides a new perspective on protecting multi-party's data security and privacy in VFL. We hope our study can attract more researchers to expand the application domains of \textit{HashVFL}.

The number of scientific publications continues to rise exponentially, especially in Computer Science (CS). However, current solutions to analyze those publications restrict access behind a paywall, offer no features for visual analysis, limit access to their data, only focus on niches or sub-fields, and/or are not flexible and modular enough to be transferred to other datasets. In this thesis, we conduct a scientometric analysis to uncover the implicit patterns hidden in CS metadata and to determine the state of CS research. Specifically, we investigate trends of the quantity, impact, and topics for authors, venues, document types (conferences vs. journals), and fields of study (compared to, e.g., medicine). To achieve this we introduce the CS-Insights system, an interactive web application to analyze CS publications with various dashboards, filters, and visualizations. The data underlying this system is the DBLP Discovery Dataset (D3), which contains metadata from 5 million CS publications. Both D3 and CS-Insights are open-access, and CS-Insights can be easily adapted to other datasets in the future. The most interesting findings of our scientometric analysis include that i) there has been a stark increase in publications, authors, and venues in the last two decades, ii) many authors only recently joined the field, iii) the most cited authors and venues focus on computer vision and pattern recognition, while the most productive prefer engineering-related topics, iv) the preference of researchers to publish in conferences over journals dwindles, v) on average, journal articles receive twice as many citations compared to conference papers, but the contrast is much smaller for the most cited conferences and journals, and vi) journals also get more citations in all other investigated fields of study, while only CS and engineering publish more in conferences than journals.