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Mar 11

Each Rank Could be an Expert: Single-Ranked Mixture of Experts LoRA for Multi-Task Learning

Low-Rank Adaptation (LoRA) is widely used for adapting large language models (LLMs) to specific domains due to its efficiency and modularity. Meanwhile, vanilla LoRA struggles with task conflicts in multi-task scenarios. Recent works adopt Mixture of Experts (MoE) by treating each LoRA module as an expert, thereby mitigating task interference through multiple specialized LoRA modules. While effective, these methods often isolate knowledge within individual tasks, failing to fully exploit the shared knowledge across related tasks. In this paper, we establish a connection between single LoRA and multi-LoRA MoE, integrating them into a unified framework. We demonstrate that the dynamic routing of multiple LoRAs is functionally equivalent to rank partitioning and block-level activation within a single LoRA. We further empirically demonstrate that finer-grained LoRA partitioning, within the same total and activated parameter constraints, leads to better performance gains across heterogeneous tasks. Building on these findings, we propose Single-ranked Mixture of Experts LoRA (SMoRA), which embeds MoE into LoRA by treating each rank as an independent expert. With a dynamic rank-wise activation mechanism, SMoRA promotes finer-grained knowledge sharing while mitigating task conflicts. Experiments demonstrate that SMoRA activates fewer parameters yet achieves better performance in multi-task scenarios.

G-Rank: Unsupervised Continuous Learn-to-Rank for Edge Devices in a P2P Network

Ranking algorithms in traditional search engines are powered by enormous training data sets that are meticulously engineered and curated by a centralized entity. Decentralized peer-to-peer (p2p) networks such as torrenting applications and Web3 protocols deliberately eschew centralized databases and computational architectures when designing services and features. As such, robust search-and-rank algorithms designed for such domains must be engineered specifically for decentralized networks, and must be lightweight enough to operate on consumer-grade personal devices such as a smartphone or laptop computer. We introduce G-Rank, an unsupervised ranking algorithm designed exclusively for decentralized networks. We demonstrate that accurate, relevant ranking results can be achieved in fully decentralized networks without any centralized data aggregation, feature engineering, or model training. Furthermore, we show that such results are obtainable with minimal data preprocessing and computational overhead, and can still return highly relevant results even when a user's device is disconnected from the network. G-Rank is highly modular in design, is not limited to categorical data, and can be implemented in a variety of domains with minimal modification. The results herein show that unsupervised ranking models designed for decentralized p2p networks are not only viable, but worthy of further research.

When Does Bottom-up Beat Top-down in Hierarchical Community Detection?

Hierarchical clustering of networks consists in finding a tree of communities, such that lower levels of the hierarchy reveal finer-grained community structures. There are two main classes of algorithms tackling this problem. Divisive (top-down) algorithms recursively partition the nodes into two communities, until a stopping rule indicates that no further split is needed. In contrast, agglomerative (bottom-up) algorithms first identify the smallest community structure and then repeatedly merge the communities using a linkage method. In this article, we establish theoretical guarantees for the recovery of the hierarchical tree and community structure of a Hierarchical Stochastic Block Model by a bottom-up algorithm. We also establish that this bottom-up algorithm attains the information-theoretic threshold for exact recovery at intermediate levels of the hierarchy. Notably, these recovery conditions are less restrictive compared to those existing for top-down algorithms. This shows that bottom-up algorithms extend the feasible region for achieving exact recovery at intermediate levels. Numerical experiments on both synthetic and real data sets confirm the superiority of bottom-up algorithms over top-down algorithms. We also observe that top-down algorithms can produce dendrograms with inversions. These findings contribute to a better understanding of hierarchical clustering techniques and their applications in network analysis.

Subset Selection Based On Multiple Rankings in the Presence of Bias: Effectiveness of Fairness Constraints for Multiwinner Voting Score Functions

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

Probabilistic Partitive Partitioning (PPP)

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

LORD: Low Rank Decomposition Of Monolingual Code LLMs For One-Shot Compression

Low Rank Decomposition of matrix - splitting a large matrix into a product of two smaller matrix offers a means for compression that reduces the parameters of a model without sparsification, and hence delivering more speedup on modern hardware. Moreover, unlike quantization, the compressed linear layers remain fully differentiable and all the parameters trainable, while being able to leverage the existing highly efficient kernels over floating point matrices. We study the potential to compress Large Language Models (LLMs) for monolingual Code generation via Low Rank Decomposition (LoRD) and observe that ranks for the linear layers in these models can be reduced by upto 39.58% with less than 1% increase in perplexity. We then use Low Rank Decomposition (LoRD) to compress StarCoder 16B to 13.2B parameter with no drop and to 12.3B with minimal drop in HumanEval Pass@1 score, in less than 10 minutes on a single A100. The compressed models speeds up inference by up to 22.35% with just a single line of change in code over huggingface's implementation with pytorch backend. Low Rank Decomposition (LoRD) models remain compatible with state of the art near-lossless quantization method such as SpQR, which allows leveraging further compression gains of quantization. Lastly, QLoRA over Low Rank Decomposition (LoRD) model further reduces memory requirements by as much as 21.2% over vanilla QLoRA while offering similar gains from parameter efficient fine tuning. Our work shows Low Rank Decomposition (LoRD) as a promising new paradigm for LLM compression.

Generalizing Few-Shot NAS with Gradient Matching

Efficient performance estimation of architectures drawn from large search spaces is essential to Neural Architecture Search. One-Shot methods tackle this challenge by training one supernet to approximate the performance of every architecture in the search space via weight-sharing, thereby drastically reducing the search cost. However, due to coupled optimization between child architectures caused by weight-sharing, One-Shot supernet's performance estimation could be inaccurate, leading to degraded search outcomes. To address this issue, Few-Shot NAS reduces the level of weight-sharing by splitting the One-Shot supernet into multiple separated sub-supernets via edge-wise (layer-wise) exhaustive partitioning. Since each partition of the supernet is not equally important, it necessitates the design of a more effective splitting criterion. In this work, we propose a gradient matching score (GM) that leverages gradient information at the shared weight for making informed splitting decisions. Intuitively, gradients from different child models can be used to identify whether they agree on how to update the shared modules, and subsequently to decide if they should share the same weight. Compared with exhaustive partitioning, the proposed criterion significantly reduces the branching factor per edge. This allows us to split more edges (layers) for a given budget, resulting in substantially improved performance as NAS search spaces usually include dozens of edges (layers). Extensive empirical evaluations of the proposed method on a wide range of search spaces (NASBench-201, DARTS, MobileNet Space), datasets (cifar10, cifar100, ImageNet) and search algorithms (DARTS, SNAS, RSPS, ProxylessNAS, OFA) demonstrate that it significantly outperforms its Few-Shot counterparts while surpassing previous comparable methods in terms of the accuracy of derived architectures.

FRL: Federated Rank Learning

Federated learning (FL) allows mutually untrusted clients to collaboratively train a common machine learning model without sharing their private/proprietary training data among each other. FL is unfortunately susceptible to poisoning by malicious clients who aim to hamper the accuracy of the commonly trained model through sending malicious model updates during FL's training process. We argue that the key factor to the success of poisoning attacks against existing FL systems is the large space of model updates available to the clients, allowing malicious clients to search for the most poisonous model updates, e.g., by solving an optimization problem. To address this, we propose Federated Rank Learning (FRL). FRL reduces the space of client updates from model parameter updates (a continuous space of float numbers) in standard FL to the space of parameter rankings (a discrete space of integer values). To be able to train the global model using parameter ranks (instead of parameter weights), FRL leverage ideas from recent supermasks training mechanisms. Specifically, FRL clients rank the parameters of a randomly initialized neural network (provided by the server) based on their local training data. The FRL server uses a voting mechanism to aggregate the parameter rankings submitted by clients in each training epoch to generate the global ranking of the next training epoch. Intuitively, our voting-based aggregation mechanism prevents poisoning clients from making significant adversarial modifications to the global model, as each client will have a single vote! We demonstrate the robustness of FRL to poisoning through analytical proofs and experimentation. We also show FRL's high communication efficiency. Our experiments demonstrate the superiority of FRL in real-world FL settings.

Rankify: A Comprehensive Python Toolkit for Retrieval, Re-Ranking, and Retrieval-Augmented Generation

Retrieval, re-ranking, and retrieval-augmented generation (RAG) are critical components of modern applications in information retrieval, question answering, or knowledge-based text generation. However, existing solutions are often fragmented, lacking a unified framework that easily integrates these essential processes. The absence of a standardized implementation, coupled with the complexity of retrieval and re-ranking workflows, makes it challenging for researchers to compare and evaluate different approaches in a consistent environment. While existing toolkits such as Rerankers and RankLLM provide general-purpose reranking pipelines, they often lack the flexibility required for fine-grained experimentation and benchmarking. In response to these challenges, we introduce Rankify, a powerful and modular open-source toolkit designed to unify retrieval, re-ranking, and RAG within a cohesive framework. Rankify supports a wide range of retrieval techniques, including dense and sparse retrievers, while incorporating state-of-the-art re-ranking models to enhance retrieval quality. Additionally, Rankify includes a collection of pre-retrieved datasets to facilitate benchmarking, available at Huggingface (https://huggingface.co/datasets/abdoelsayed/reranking-datasets-light). To encourage adoption and ease of integration, we provide comprehensive documentation (http://rankify.readthedocs.io/), an open-source implementation on GitHub (https://github.com/DataScienceUIBK/rankify), and a PyPI package for easy installation (https://pypi.org/project/rankify/). As a unified and lightweight framework, Rankify allows researchers and practitioners to advance retrieval and re-ranking methodologies while ensuring consistency, scalability, and ease of use.

What are the best systems? New perspectives on NLP Benchmarking

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Trained Rank Pruning for Efficient Deep Neural Networks

The performance of Deep Neural Networks (DNNs) keeps elevating in recent years with increasing network depth and width. To enable DNNs on edge devices like mobile phones, researchers proposed several network compression methods including pruning, quantization and factorization. Among the factorization-based approaches, low-rank approximation has been widely adopted because of its solid theoretical rationale and efficient implementations. Several previous works attempted to directly approximate a pre-trained model by low-rank decomposition; however, small approximation errors in parameters can ripple a large prediction loss. As a result, performance usually drops significantly and a sophisticated fine-tuning is required to recover accuracy. We argue that it is not optimal to separate low-rank approximation from training. Unlike previous works, this paper integrates low rank approximation and regularization into the training. We propose Trained Rank Pruning (TRP), which iterates low rank approximation and training. TRP maintains the capacity of original network while imposes low-rank constraints during training. A stochastic sub-gradient descent optimized nuclear regularization is utilized to further encourage low rank in TRP. The TRP trained network has low-rank structure in nature, and can be approximated with negligible performance loss, eliminating fine-tuning after low rank approximation. The methods are comprehensively evaluated on CIFAR-10 and ImageNet, outperforming previous compression methods using low rank approximation. Code is available: https://github.com/yuhuixu1993/Trained-Rank-Pruning

MoS: Unleashing Parameter Efficiency of Low-Rank Adaptation with Mixture of Shards

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

Fast and Eager k-Medoids Clustering: O(k) Runtime Improvement of the PAM, CLARA, and CLARANS Algorithms

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids clustering. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not exist for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains and applications. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm that achieve an O(k)-fold speedup in the second ("SWAP") phase of the algorithm, but will still find the same results as the original PAM algorithm. If we relax the choice of swaps performed (while retaining comparable quality), we can further accelerate the algorithm by eagerly performing additional swaps in each iteration. With the substantially faster SWAP, we can now explore faster initialization strategies, because (i) the classic ("BUILD") initialization now becomes the bottleneck, and (ii) our swap is fast enough to compensate for worse starting conditions. We also show how the CLARA and CLARANS algorithms benefit from the proposed modifications. While we do not study the parallelization of our approach in this work, it can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100,200, we observed a 458x respectively 1191x speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets, and in particular to higher k.

Adaptive Regularization of Representation Rank as an Implicit Constraint of Bellman Equation

Representation rank is an important concept for understanding the role of Neural Networks (NNs) in Deep Reinforcement learning (DRL), which measures the expressive capacity of value networks. Existing studies focus on unboundedly maximizing this rank; nevertheless, that approach would introduce overly complex models in the learning, thus undermining performance. Hence, fine-tuning representation rank presents a challenging and crucial optimization problem. To address this issue, we find a guiding principle for adaptive control of the representation rank. We employ the Bellman equation as a theoretical foundation and derive an upper bound on the cosine similarity of consecutive state-action pairs representations of value networks. We then leverage this upper bound to propose a novel regularizer, namely BEllman Equation-based automatic rank Regularizer (BEER). This regularizer adaptively regularizes the representation rank, thus improving the DRL agent's performance. We first validate the effectiveness of automatic control of rank on illustrative experiments. Then, we scale up BEER to complex continuous control tasks by combining it with the deterministic policy gradient method. Among 12 challenging DeepMind control tasks, BEER outperforms the baselines by a large margin. Besides, BEER demonstrates significant advantages in Q-value approximation. Our code is available at https://github.com/sweetice/BEER-ICLR2024.

Shortcut Partitions in Minor-Free Graphs: Steiner Point Removal, Distance Oracles, Tree Covers, and More

The notion of shortcut partition, introduced recently by Chang, Conroy, Le, Milenkovi\'c, Solomon, and Than [CCLMST23], is a new type of graph partition into low-diameter clusters. Roughly speaking, the shortcut partition guarantees that for every two vertices u and v in the graph, there exists a path between u and v that intersects only a few clusters. They proved that any planar graph admits a shortcut partition and gave several applications, including a construction of tree cover for arbitrary planar graphs with stretch 1+varepsilon and O(1) many trees for any fixed varepsilon in (0,1). However, the construction heavily exploits planarity in multiple steps, and is thus inherently limited to planar graphs. In this work, we breach the "planarity barrier" to construct a shortcut partition for K_r-minor-free graphs for any r. To this end, we take a completely different approach -- our key contribution is a novel deterministic variant of the cop decomposition in minor-free graphs [And86, AGG14]. Our shortcut partition for K_r-minor-free graphs yields several direct applications. Most notably, we construct the first optimal distance oracle for K_r-minor-free graphs, with 1+varepsilon stretch, linear space, and constant query time for any fixed varepsilon in (0,1). The previous best distance oracle [AG06] uses O(nlog n) space and O(log n) query time, and its construction relies on Robertson-Seymour structural theorem and other sophisticated tools. We also obtain the first tree cover of O(1) size for minor-free graphs with stretch 1+varepsilon, while the previous best (1+varepsilon)-tree cover has size O(log^2 n) [BFN19].

Unsupervised Manifold Linearizing and Clustering

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

Learning Discrete Representations via Constrained Clustering for Effective and Efficient Dense Retrieval

Dense Retrieval (DR) has achieved state-of-the-art first-stage ranking effectiveness. However, the efficiency of most existing DR models is limited by the large memory cost of storing dense vectors and the time-consuming nearest neighbor search (NNS) in vector space. Therefore, we present RepCONC, a novel retrieval model that learns discrete Representations via CONstrained Clustering. RepCONC jointly trains dual-encoders and the Product Quantization (PQ) method to learn discrete document representations and enables fast approximate NNS with compact indexes. It models quantization as a constrained clustering process, which requires the document embeddings to be uniformly clustered around the quantization centroids and supports end-to-end optimization of the quantization method and dual-encoders. We theoretically demonstrate the importance of the uniform clustering constraint in RepCONC and derive an efficient approximate solution for constrained clustering by reducing it to an instance of the optimal transport problem. Besides constrained clustering, RepCONC further adopts a vector-based inverted file system (IVF) to support highly efficient vector search on CPUs. Extensive experiments on two popular ad-hoc retrieval benchmarks show that RepCONC achieves better ranking effectiveness than competitive vector quantization baselines under different compression ratio settings. It also substantially outperforms a wide range of existing retrieval models in terms of retrieval effectiveness, memory efficiency, and time efficiency.

Zeroth-Order Optimization Meets Human Feedback: Provable Learning via Ranking Oracles

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

Maestro: Uncovering Low-Rank Structures via Trainable Decomposition

Deep Neural Networks (DNNs) have been a large driver and enabler for AI breakthroughs in recent years. These models have been getting larger in their attempt to become more accurate and tackle new upcoming use-cases, including AR/VR and intelligent assistants. However, the training process of such large models is a costly and time-consuming process, which typically yields a single model to fit all targets. To mitigate this, various techniques have been proposed in the literature, including pruning, sparsification or quantization of the model weights and updates. While able to achieve high compression rates, they often incur computational overheads or accuracy penalties. Alternatively, factorization methods have been leveraged to incorporate low-rank compression in the training process. Similarly, such techniques (e.g.,~SVD) frequently rely on the computationally expensive decomposition of layers and are potentially sub-optimal for non-linear models, such as DNNs. In this work, we take a further step in designing efficient low-rank models and propose Maestro, a framework for trainable low-rank layers. Instead of regularly applying a priori decompositions such as SVD, the low-rank structure is built into the training process through a generalized variant of Ordered Dropout. This method imposes an importance ordering via sampling on the decomposed DNN structure. Our theoretical analysis demonstrates that our method recovers the SVD decomposition of linear mapping on uniformly distributed data and PCA for linear autoencoders. We further apply our technique on DNNs and empirically illustrate that Maestro enables the extraction of lower footprint models that preserve model performance while allowing for graceful accuracy-latency tradeoff for the deployment to devices of different capabilities.

Faster k-Medoids Clustering: Improving the PAM, CLARA, and CLARANS Algorithms

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not hold for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains such as biology that require the use of Jaccard, Gower, or more complex distances. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm to achieve an O(k)-fold speedup in the second SWAP phase of the algorithm, but will still find the same results as the original PAM algorithm. If we slightly relax the choice of swaps performed (at comparable quality), we can further accelerate the algorithm by performing up to k swaps in each iteration. With the substantially faster SWAP, we can now also explore alternative strategies for choosing the initial medoids. We also show how the CLARA and CLARANS algorithms benefit from these modifications. It can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100, we observed a 200-fold speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets as long as we can afford to compute a distance matrix, and in particular to higher k (at k=2, the new SWAP was only 1.5 times faster, as the speedup is expected to increase with k).

Local Graph Clustering with Noisy Labels

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13%.

Learning Unnormalized Statistical Models via Compositional Optimization

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

Low Rank Matrix Completion via Robust Alternating Minimization in Nearly Linear Time

Given a matrix Min R^{mtimes n}, the low rank matrix completion problem asks us to find a rank-k approximation of M as UV^top for Uin R^{mtimes k} and Vin R^{ntimes k} by only observing a few entries specified by a set of entries Omegasubseteq [m]times [n]. In particular, we examine an approach that is widely used in practice -- the alternating minimization framework. Jain, Netrapalli and Sanghavi~jns13 showed that if M has incoherent rows and columns, then alternating minimization provably recovers the matrix M by observing a nearly linear in n number of entries. While the sample complexity has been subsequently improved~glz17, alternating minimization steps are required to be computed exactly. This hinders the development of more efficient algorithms and fails to depict the practical implementation of alternating minimization, where the updates are usually performed approximately in favor of efficiency. In this paper, we take a major step towards a more efficient and error-robust alternating minimization framework. To this end, we develop an analytical framework for alternating minimization that can tolerate moderate amount of errors caused by approximate updates. Moreover, our algorithm runs in time widetilde O(|Omega| k), which is nearly linear in the time to verify the solution while preserving the sample complexity. This improves upon all prior known alternating minimization approaches which require widetilde O(|Omega| k^2) time.

SPANN: Highly-efficient Billion-scale Approximate Nearest Neighbor Search

The in-memory algorithms for approximate nearest neighbor search (ANNS) have achieved great success for fast high-recall search, but are extremely expensive when handling very large scale database. Thus, there is an increasing request for the hybrid ANNS solutions with small memory and inexpensive solid-state drive (SSD). In this paper, we present a simple but efficient memory-disk hybrid indexing and search system, named SPANN, that follows the inverted index methodology. It stores the centroid points of the posting lists in the memory and the large posting lists in the disk. We guarantee both disk-access efficiency (low latency) and high recall by effectively reducing the disk-access number and retrieving high-quality posting lists. In the index-building stage, we adopt a hierarchical balanced clustering algorithm to balance the length of posting lists and augment the posting list by adding the points in the closure of the corresponding clusters. In the search stage, we use a query-aware scheme to dynamically prune the access of unnecessary posting lists. Experiment results demonstrate that SPANN is 2times faster than the state-of-the-art ANNS solution DiskANN to reach the same recall quality 90% with same memory cost in three billion-scale datasets. It can reach 90% recall@1 and recall@10 in just around one millisecond with only 32GB memory cost. Code is available at: {\footnotesizeblue{https://github.com/microsoft/SPTAG}}.

OutRank: Speeding up AutoML-based Model Search for Large Sparse Data sets with Cardinality-aware Feature Ranking

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Divide and Conquer for Large Language Models Reasoning

Large language models (LLMs) have shown impressive performance in various reasoning benchmarks with the emergence of Chain-of-Thought (CoT) and its derivative methods, particularly in tasks involving multi-choice questions (MCQs). However, current works all process data uniformly without considering the problem-solving difficulty, which means an excessive focus on simple questions while insufficient to intricate ones. To address this challenge, we inspired by humans using heuristic strategies to categorize tasks and handle them individually, propose to apply the Divide and Conquer to LLMs reasoning. First, we divide questions into different subsets based on the statistical confidence score (CS), then fix nearly resolved sets and conquer demanding nuanced process ones with elaborately designed methods, including Prior Knowledge based Reasoning (PKR) and Filter Choices based Reasoning (FCR), as well as their integration variants. Our experiments demonstrate that this proposed strategy significantly boosts the models' reasoning abilities across nine datasets involving arithmetic, commonsense, and logic tasks. For instance, compared to baseline, we make a striking improvement on low confidence subsets of 8.72\% for AQuA, 15.07\% for ARC Challenge and 7.71\% for RiddleSense. In addition, through extensive analysis on length of rationale and number of options, we verify that longer reasoning paths in PKR could prevent models from referring infer-harmful shortcuts, and also find that removing irrelevant choices in FCR would substantially avoid models' confusion. The code is at https://github.com/AiMijie/Divide-and-Conquer

Efficient and robust approximate nearest neighbor search using Hierarchical Navigable Small World graphs

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

SP^2OT: Semantic-Regularized Progressive Partial Optimal Transport for Imbalanced Clustering

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we propose a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To address this challenge, we introduce a novel optimal transport-based pseudo-label learning framework. Our framework formulates pseudo-label generation as a Semantic-regularized Progressive Partial Optimal Transport (SP^2OT) problem, which progressively transports each sample to imbalanced clusters under several prior distribution and semantic relation constraints, thus generating high-quality and imbalance-aware pseudo-labels. To solve SP^2OT, we develop a Majorization-Minimization-based optimization algorithm. To be more precise, we employ the strategy of majorization to reformulate the SP^2OT problem into a Progressive Partial Optimal Transport problem, which can be transformed into an unbalanced optimal transport problem with augmented constraints and can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

Scaling Large Language Model Training on Frontier with Low-Bandwidth Partitioning

Scaling up Large Language Model(LLM) training involves fitting a tremendous amount of training parameters across a limited number of workers. However, methods like ZeRO-3 that drastically reduce GPU memory pressure often incur heavy communication to ensure global synchronization and consistency. Established efforts such as ZeRO++ use secondary partitions to avoid inter-node communications, given that intra-node GPU-GPU transfer generally has more bandwidth and lower latency than inter-node connections. However, as more capable infrastructure like Frontier, equipped with AMD GPUs, emerged with impressive computing capability, there is a need for investigations on the hardware topology and to develop targeted strategies to improve training efficiency. In this work, we propose a collection of communication and optimization strategies for ZeRO++ to reduce communication costs and improve memory utilization. In this paper, we propose a 3-level hierarchical partitioning specifically for the current Top-1 supercomputing cluster, Frontier, which aims at leveraging various bandwidths across layers of communications (GCD-GCD, GPU-GPU, and inter-node) to reduce communication overhead. For a 20B GPT model, we observe a 1.71x increase in TFLOPS per GPU when compared with ZeRO++ up to 384 GCDs and a scaling efficiency of 0.94 for up to 384 GCDs. To the best of our knowledge, our work is also the first effort to efficiently optimize LLM workloads on Frontier AMD GPUs.

R2D2: Reducing Redundancy and Duplication in Data Lakes

Enterprise data lakes often suffer from substantial amounts of duplicate and redundant data, with data volumes ranging from terabytes to petabytes. This leads to both increased storage costs and unnecessarily high maintenance costs for these datasets. In this work, we focus on identifying and reducing redundancy in enterprise data lakes by addressing the problem of 'dataset containment'. To the best of our knowledge, this is one of the first works that addresses table-level containment at a large scale. We propose R2D2: a three-step hierarchical pipeline that efficiently identifies almost all instances of containment by progressively reducing the search space in the data lake. It first builds (i) a schema containment graph, followed by (ii) statistical min-max pruning, and finally, (iii) content level pruning. We further propose minimizing the total storage and access costs by optimally identifying redundant datasets that can be deleted (and reconstructed on demand) while respecting latency constraints. We implement our system on Azure Databricks clusters using Apache Spark for enterprise data stored in ADLS Gen2, and on AWS clusters for open-source data. In contrast to existing modified baselines that are inaccurate or take several days to run, our pipeline can process an enterprise customer data lake at the TB scale in approximately 5 hours with high accuracy. We present theoretical results as well as extensive empirical validation on both enterprise (scale of TBs) and open-source datasets (scale of MBs - GBs), which showcase the effectiveness of our pipeline.

An Algorithm for Recommending Groceries Based on an Item Ranking Method

This research proposes a new recommender system algorithm for online grocery shopping. The algorithm is based on the perspective that, since the grocery items are usually bought in bulk, a grocery recommender system should be capable of recommending the items in bulk. The algorithm figures out the possible dishes a user may cook based on the items added to the basket and recommends the ingredients accordingly. Our algorithm does not depend on the user ratings. Customers usually do not have the patience to rate the groceries they purchase. Therefore, algorithms that are not dependent on user ratings need to be designed. Instead of using a brute force search, this algorithm limits the search space to a set of only a few probably food categories. Each food category consists of several food subcategories. For example, "fried rice" and "biryani" are food subcategories that belong to the food category "rice". For each food category, items are ranked according to how well they can differentiate a food subcategory. To each food subcategory in the activated search space, this algorithm attaches a score. The score is calculated based on the rank of the items added to the basket. Once the score exceeds a threshold value, its corresponding subcategory gets activated. The algorithm then uses a basket-to-recipe similarity measure to identify the best recipe matches within the activated subcategories only. This reduces the search space to a great extent. We may argue that this algorithm is similar to the content-based recommender system in some sense, but it does not suffer from the limitations like limited content, over-specialization, or the new user problem.

Unbiased Learning to Rank with Unbiased Propensity Estimation

Learning to rank with biased click data is a well-known challenge. A variety of methods has been explored to debias click data for learning to rank such as click models, result interleaving and, more recently, the unbiased learning-to-rank framework based on inverse propensity weighting. Despite their differences, most existing studies separate the estimation of click bias (namely the propensity model) from the learning of ranking algorithms. To estimate click propensities, they either conduct online result randomization, which can negatively affect the user experience, or offline parameter estimation, which has special requirements for click data and is optimized for objectives (e.g. click likelihood) that are not directly related to the ranking performance of the system. In this work, we address those problems by unifying the learning of propensity models and ranking models. We find that the problem of estimating a propensity model from click data is a dual problem of unbiased learning to rank. Based on this observation, we propose a Dual Learning Algorithm (DLA) that jointly learns an unbiased ranker and an unbiased propensity model. DLA is an automatic unbiased learning-to-rank framework as it directly learns unbiased ranking models from biased click data without any preprocessing. It can adapt to the change of bias distributions and is applicable to online learning. Our empirical experiments with synthetic and real-world data show that the models trained with DLA significantly outperformed the unbiased learning-to-rank algorithms based on result randomization and the models trained with relevance signals extracted by click models.

High-Throughput Vector Similarity Search in Knowledge Graphs

There is an increasing adoption of machine learning for encoding data into vectors to serve online recommendation and search use cases. As a result, recent data management systems propose augmenting query processing with online vector similarity search. In this work, we explore vector similarity search in the context of Knowledge Graphs (KGs). Motivated by the tasks of finding related KG queries and entities for past KG query workloads, we focus on hybrid vector similarity search (hybrid queries for short) where part of the query corresponds to vector similarity search and part of the query corresponds to predicates over relational attributes associated with the underlying data vectors. For example, given past KG queries for a song entity, we want to construct new queries for new song entities whose vector representations are close to the vector representation of the entity in the past KG query. But entities in a KG also have non-vector attributes such as a song associated with an artist, a genre, and a release date. Therefore, suggested entities must also satisfy query predicates over non-vector attributes beyond a vector-based similarity predicate. While these tasks are central to KGs, our contributions are generally applicable to hybrid queries. In contrast to prior works that optimize online queries, we focus on enabling efficient batch processing of past hybrid query workloads. We present our system, HQI, for high-throughput batch processing of hybrid queries. We introduce a workload-aware vector data partitioning scheme to tailor the vector index layout to the given workload and describe a multi-query optimization technique to reduce the overhead of vector similarity computations. We evaluate our methods on industrial workloads and demonstrate that HQI yields a 31x improvement in throughput for finding related KG queries compared to existing hybrid query processing approaches.

Learning Low-Rank Representations for Model Compression

Vector Quantization (VQ) is an appealing model compression method to obtain a tiny model with less accuracy loss. While methods to obtain better codebooks and codes under fixed clustering dimensionality have been extensively studied, optimizations of the vectors in favour of clustering performance are not carefully considered, especially via the reduction of vector dimensionality. This paper reports our recent progress on the combination of dimensionality compression and vector quantization, proposing a Low-Rank Representation Vector Quantization (LR^2VQ) method that outperforms previous VQ algorithms in various tasks and architectures. LR^2VQ joins low-rank representation with subvector clustering to construct a new kind of building block that is directly optimized through end-to-end training over the task loss. Our proposed design pattern introduces three hyper-parameters, the number of clusters k, the size of subvectors m and the clustering dimensionality d. In our method, the compression ratio could be directly controlled by m, and the final accuracy is solely determined by d. We recognize d as a trade-off between low-rank approximation error and clustering error and carry out both theoretical analysis and experimental observations that empower the estimation of the proper d before fine-tunning. With a proper d, we evaluate LR^2VQ with ResNet-18/ResNet-50 on ImageNet classification datasets, achieving 2.8\%/1.0\% top-1 accuracy improvements over the current state-of-the-art VQ-based compression algorithms with 43times/31times compression factor.

An Unsupervised Method for Estimating Class Separability of Datasets with Application to LLMs Fine-Tuning

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

PowerWalk: Scalable Personalized PageRank via Random Walks with Vertex-Centric Decomposition

Most methods for Personalized PageRank (PPR) precompute and store all accurate PPR vectors, and at query time, return the ones of interest directly. However, the storage and computation of all accurate PPR vectors can be prohibitive for large graphs, especially in caching them in memory for real-time online querying. In this paper, we propose a distributed framework that strikes a better balance between offline indexing and online querying. The offline indexing attains a fingerprint of the PPR vector of each vertex by performing billions of "short" random walks in parallel across a cluster of machines. We prove that our indexing method has an exponential convergence, achieving the same precision with previous methods using a much smaller number of random walks. At query time, the new PPR vector is composed by a linear combination of related fingerprints, in a highly efficient vertex-centric decomposition manner. Interestingly, the resulting PPR vector is much more accurate than its offline counterpart because it actually uses more random walks in its estimation. More importantly, we show that such decomposition for a batch of queries can be very efficiently processed using a shared decomposition. Our implementation, PowerWalk, takes advantage of advanced distributed graph engines and it outperforms the state-of-the-art algorithms by orders of magnitude. Particularly, it responses to tens of thousands of queries on graphs with billions of edges in just a few seconds.

Unified Low-rank Compression Framework for Click-through Rate Prediction

Deep Click-Through Rate (CTR) prediction models play an important role in modern industrial recommendation scenarios. However, high memory overhead and computational costs limit their deployment in resource-constrained environments. Low-rank approximation is an effective method for computer vision and natural language processing models, but its application in compressing CTR prediction models has been less explored. Due to the limited memory and computing resources, compression of CTR prediction models often confronts three fundamental challenges, i.e., (1). How to reduce the model sizes to adapt to edge devices? (2). How to speed up CTR prediction model inference? (3). How to retain the capabilities of original models after compression? Previous low-rank compression research mostly uses tensor decomposition, which can achieve a high parameter compression ratio, but brings in AUC degradation and additional computing overhead. To address these challenges, we propose a unified low-rank decomposition framework for compressing CTR prediction models. We find that even with the most classic matrix decomposition SVD method, our framework can achieve better performance than the original model. To further improve the effectiveness of our framework, we locally compress the output features instead of compressing the model weights. Our unified low-rank compression framework can be applied to embedding tables and MLP layers in various CTR prediction models. Extensive experiments on two academic datasets and one real industrial benchmark demonstrate that, with 3-5x model size reduction, our compressed models can achieve both faster inference and higher AUC than the uncompressed original models. Our code is at https://github.com/yuhao318/Atomic_Feature_Mimicking.

A Practical Approach to Novel Class Discovery in Tabular Data

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Are Neural Ranking Models Robust?

Recently, we have witnessed the bloom of neural ranking models in the information retrieval (IR) field. So far, much effort has been devoted to developing effective neural ranking models that can generalize well on new data. There has been less attention paid to the robustness perspective. Unlike the effectiveness which is about the average performance of a system under normal purpose, robustness cares more about the system performance in the worst case or under malicious operations instead. When a new technique enters into the real-world application, it is critical to know not only how it works in average, but also how would it behave in abnormal situations. So we raise the question in this work: Are neural ranking models robust? To answer this question, firstly, we need to clarify what we refer to when we talk about the robustness of ranking models in IR. We show that robustness is actually a multi-dimensional concept and there are three ways to define it in IR: 1) The performance variance under the independent and identically distributed (I.I.D.) setting; 2) The out-of-distribution (OOD) generalizability; and 3) The defensive ability against adversarial operations. The latter two definitions can be further specified into two different perspectives respectively, leading to 5 robustness tasks in total. Based on this taxonomy, we build corresponding benchmark datasets, design empirical experiments, and systematically analyze the robustness of several representative neural ranking models against traditional probabilistic ranking models and learning-to-rank (LTR) models. The empirical results show that there is no simple answer to our question. While neural ranking models are less robust against other IR models in most cases, some of them can still win 1 out of 5 tasks. This is the first comprehensive study on the robustness of neural ranking models.

Efficient Maximum Fair Clique Search over Large Networks

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

Transductive Few-Shot Learning: Clustering is All You Need?

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

Run-Off Election: Improved Provable Defense against Data Poisoning Attacks

In data poisoning attacks, an adversary tries to change a model's prediction by adding, modifying, or removing samples in the training data. Recently, ensemble-based approaches for obtaining provable defenses against data poisoning have been proposed where predictions are done by taking a majority vote across multiple base models. In this work, we show that merely considering the majority vote in ensemble defenses is wasteful as it does not effectively utilize available information in the logits layers of the base models. Instead, we propose Run-Off Election (ROE), a novel aggregation method based on a two-round election across the base models: In the first round, models vote for their preferred class and then a second, Run-Off election is held between the top two classes in the first round. Based on this approach, we propose DPA+ROE and FA+ROE defense methods based on Deep Partition Aggregation (DPA) and Finite Aggregation (FA) approaches from prior work. We evaluate our methods on MNIST, CIFAR-10, and GTSRB and obtain improvements in certified accuracy by up to 3%-4%. Also, by applying ROE on a boosted version of DPA, we gain improvements around 12%-27% comparing to the current state-of-the-art, establishing a new state-of-the-art in (pointwise) certified robustness against data poisoning. In many cases, our approach outperforms the state-of-the-art, even when using 32 times less computational power.

From GaLore to WeLore: How Low-Rank Weights Non-uniformly Emerge from Low-Rank Gradients

Modern Large Language Models (LLMs) are composed of matrices with billions of elements, making their storage and processing quite demanding in terms of computational resources and memory usage. Being significantly large, such matrices can often be expressed in low-rank format with potential to relax resource requirements. Unlike prior works which focus on developing novel matrix decomposition algorithms, in this work we first study the emergence of low-rank structures across matrices within different layers of LLMs and establish a consequential relationship between the gradient dynamics and emerging low-rank expressiveness of matrices. Our findings reveal that different layers exhibit varying levels of converged low-rank structure, necessitating a non-uniform rank reduction across them to minimize performance drop due to compression. In view of that, we present Weight Low-Rank Projection (WeLore) that unifies weight compression and memory-efficient fine-tuning as ONE, in a data-agnostic and one-shot way. WeLore capitalizes the heavy-tail distribution of singular values to identify a suitable rank reduction ratio for matrices within LLMs. Going beyond only as a compression technique, WeLore categorizes weight matrices into Low-rank Components (LRCs) and Non-Low-rank Components (N-LRCs) based on their ability to express themselves as low-rank. Our gradient perspective and extensive experiments illustrate that LRCs tend to have better finetuning capabilities and can closely mimic (sometimes outperform) the training loss trajectory and performance of full-finetuning with notable memory and compute footprint reduction. For example, finetuning a 50\% compressed LLaMa-2 7B model using only a fraction of parameters in LRCs (WeLore) can outperform its full finetuning with ~3x better throughput and ~0.6x GPU requirement. Our codes are available at https://github.com/VITA-Group/welore

Curator: Efficient Indexing for Multi-Tenant Vector Databases

Vector databases have emerged as key enablers for bridging intelligent applications with unstructured data, providing generic search and management support for embedding vectors extracted from the raw unstructured data. As multiple data users can share the same database infrastructure, multi-tenancy support for vector databases is increasingly desirable. This hinges on an efficient filtered search operation, i.e., only querying the vectors accessible to a particular tenant. Multi-tenancy in vector databases is currently achieved by building either a single, shared index among all tenants, or a per-tenant index. The former optimizes for memory efficiency at the expense of search performance, while the latter does the opposite. Instead, this paper presents Curator, an in-memory vector index design tailored for multi-tenant queries that simultaneously achieves the two conflicting goals, low memory overhead and high performance for queries, vector insertion, and deletion. Curator indexes each tenant's vectors with a tenant-specific clustering tree and encodes these trees compactly as sub-trees of a shared clustering tree. Each tenant's clustering tree adapts dynamically to its unique vector distribution, while maintaining a low per-tenant memory footprint. Our evaluation, based on two widely used data sets, confirms that Curator delivers search performance on par with per-tenant indexing, while maintaining memory consumption at the same level as metadata filtering on a single, shared index.

ClusterNet: A Perception-Based Clustering Model for Scattered Data

Visualizations for scattered data are used to make users understand certain attributes of their data by solving different tasks, e.g. correlation estimation, outlier detection, cluster separation. In this paper, we focus on the later task, and develop a technique that is aligned to human perception, that can be used to understand how human subjects perceive clusterings in scattered data and possibly optimize for better understanding. Cluster separation in scatterplots is a task that is typically tackled by widely used clustering techniques, such as for instance k-means or DBSCAN. However, as these algorithms are based on non-perceptual metrics, we can show in our experiments, that their output do not reflect human cluster perception. We propose a learning strategy which directly operates on scattered data. To learn perceptual cluster separation on this data, we crowdsourced a large scale dataset, consisting of 7,320 point-wise cluster affiliations for bivariate data, which has been labeled by 384 human crowd workers. Based on this data, we were able to train ClusterNet, a point-based deep learning model, trained to reflect human perception of cluster separability. In order to train ClusterNet on human annotated data, we use a PointNet++ architecture enabling inference on point clouds directly. In this work, we provide details on how we collected our dataset, report statistics of the resulting annotations, and investigate perceptual agreement of cluster separation for real-world data. We further report the training and evaluation protocol of ClusterNet and introduce a novel metric, that measures the accuracy between a clustering technique and a group of human annotators. Finally, we compare our approach against existing state-of-the-art clustering techniques and can show, that ClusterNet is able to generalize to unseen and out of scope data.

Global Features are All You Need for Image Retrieval and Reranking

Image retrieval systems conventionally use a two-stage paradigm, leveraging global features for initial retrieval and local features for reranking. However, the scalability of this method is often limited due to the significant storage and computation cost incurred by local feature matching in the reranking stage. In this paper, we present SuperGlobal, a novel approach that exclusively employs global features for both stages, improving efficiency without sacrificing accuracy. SuperGlobal introduces key enhancements to the retrieval system, specifically focusing on the global feature extraction and reranking processes. For extraction, we identify sub-optimal performance when the widely-used ArcFace loss and Generalized Mean (GeM) pooling methods are combined and propose several new modules to improve GeM pooling. In the reranking stage, we introduce a novel method to update the global features of the query and top-ranked images by only considering feature refinement with a small set of images, thus being very compute and memory efficient. Our experiments demonstrate substantial improvements compared to the state of the art in standard benchmarks. Notably, on the Revisited Oxford+1M Hard dataset, our single-stage results improve by 7.1%, while our two-stage gain reaches 3.7% with a strong 64,865x speedup. Our two-stage system surpasses the current single-stage state-of-the-art by 16.3%, offering a scalable, accurate alternative for high-performing image retrieval systems with minimal time overhead. Code: https://github.com/ShihaoShao-GH/SuperGlobal.

Analysis of Linear Mode Connectivity via Permutation-Based Weight Matching

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Attention-based Dynamic Subspace Learners for Medical Image Analysis

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

Demystifying Local and Global Fairness Trade-offs in Federated Learning Using Partial Information Decomposition

This work presents an information-theoretic perspective to group fairness trade-offs in federated learning (FL) with respect to sensitive attributes, such as gender, race, etc. Existing works often focus on either global fairness (overall disparity of the model across all clients) or local fairness (disparity of the model at each client), without always considering their trade-offs. There is a lack of understanding regarding the interplay between global and local fairness in FL, particularly under data heterogeneity, and if and when one implies the other. To address this gap, we leverage a body of work in information theory called partial information decomposition (PID), which first identifies three sources of unfairness in FL, namely, Unique Disparity, Redundant Disparity, and Masked Disparity. We demonstrate how these three disparities contribute to global and local fairness using canonical examples. This decomposition helps us derive fundamental limits on the trade-off between global and local fairness, highlighting where they agree or disagree. We introduce the Accuracy and Global-Local Fairness Optimality Problem (AGLFOP), a convex optimization that defines the theoretical limits of accuracy and fairness trade-offs, identifying the best possible performance any FL strategy can attain given a dataset and client distribution. We also present experimental results on synthetic datasets and the ADULT dataset to support our theoretical findings.

How connectivity structure shapes rich and lazy learning in neural circuits

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

Deep Clustering via Joint Convolutional Autoencoder Embedding and Relative Entropy Minimization

Image clustering is one of the most important computer vision applications, which has been extensively studied in literature. However, current clustering methods mostly suffer from lack of efficiency and scalability when dealing with large-scale and high-dimensional data. In this paper, we propose a new clustering model, called DEeP Embedded RegularIzed ClusTering (DEPICT), which efficiently maps data into a discriminative embedding subspace and precisely predicts cluster assignments. DEPICT generally consists of a multinomial logistic regression function stacked on top of a multi-layer convolutional autoencoder. We define a clustering objective function using relative entropy (KL divergence) minimization, regularized by a prior for the frequency of cluster assignments. An alternating strategy is then derived to optimize the objective by updating parameters and estimating cluster assignments. Furthermore, we employ the reconstruction loss functions in our autoencoder, as a data-dependent regularization term, to prevent the deep embedding function from overfitting. In order to benefit from end-to-end optimization and eliminate the necessity for layer-wise pretraining, we introduce a joint learning framework to minimize the unified clustering and reconstruction loss functions together and train all network layers simultaneously. Experimental results indicate the superiority and faster running time of DEPICT in real-world clustering tasks, where no labeled data is available for hyper-parameter tuning.

Threshold-Consistent Margin Loss for Open-World Deep Metric Learning

Existing losses used in deep metric learning (DML) for image retrieval often lead to highly non-uniform intra-class and inter-class representation structures across test classes and data distributions. When combined with the common practice of using a fixed threshold to declare a match, this gives rise to significant performance variations in terms of false accept rate (FAR) and false reject rate (FRR) across test classes and data distributions. We define this issue in DML as threshold inconsistency. In real-world applications, such inconsistency often complicates the threshold selection process when deploying commercial image retrieval systems. To measure this inconsistency, we propose a novel variance-based metric called Operating-Point-Inconsistency-Score (OPIS) that quantifies the variance in the operating characteristics across classes. Using the OPIS metric, we find that achieving high accuracy levels in a DML model does not automatically guarantee threshold consistency. In fact, our investigation reveals a Pareto frontier in the high-accuracy regime, where existing methods to improve accuracy often lead to degradation in threshold consistency. To address this trade-off, we introduce the Threshold-Consistent Margin (TCM) loss, a simple yet effective regularization technique that promotes uniformity in representation structures across classes by selectively penalizing hard sample pairs. Extensive experiments demonstrate TCM's effectiveness in enhancing threshold consistency while preserving accuracy, simplifying the threshold selection process in practical DML settings.

From Logistic Regression to the Perceptron Algorithm: Exploring Gradient Descent with Large Step Sizes

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.