Vikas Garg

LG
h-index18
30papers
873citations
Novelty63%
AI Score51

30 Papers

3.3LGMay 19, 2022
Why GANs are overkill for NLP

David Alvarez-Melis, Vikas Garg, Adam Tauman Kalai · harvard, microsoft-research

This work offers a novel theoretical perspective on why, despite numerous attempts, adversarial approaches to generative modeling (e.g., GANs) have not been as popular for certain generation tasks, particularly sequential tasks such as Natural Language Generation, as they have in others, such as Computer Vision. In particular, on sequential data such as text, maximum-likelihood approaches are significantly more utilized than GANs. We show that, while it may seem that maximizing likelihood is inherently different than minimizing distinguishability, this distinction is largely artificial and only holds for limited models. We argue that minimizing KL-divergence (i.e., maximizing likelihood) is a more efficient approach to effectively minimizing the same distinguishability criteria that adversarial models seek to optimize. Reductions show that minimizing distinguishability can be seen as simply boosting likelihood for certain families of models including n-gram models and neural networks with a softmax output layer. To achieve a full polynomial-time reduction, a novel next-token distinguishability model is considered.

26.0LGSep 29, 2022Code
Provably expressive temporal graph networks

Amauri H. Souza, Diego Mesquita, Samuel Kaski et al.

Temporal graph networks (TGNs) have gained prominence as models for embedding dynamic interactions, but little is known about their theoretical underpinnings. We establish fundamental results about the representational power and limits of the two main categories of TGNs: those that aggregate temporal walks (WA-TGNs), and those that augment local message passing with recurrent memory modules (MP-TGNs). Specifically, novel constructions reveal the inadequacy of MP-TGNs and WA-TGNs, proving that neither category subsumes the other. We extend the 1-WL (Weisfeiler-Leman) test to temporal graphs, and show that the most powerful MP-TGNs should use injective updates, as in this case they become as expressive as the temporal WL. Also, we show that sufficiently deep MP-TGNs cannot benefit from memory, and MP/WA-TGNs fail to compute graph properties such as girth. These theoretical insights lead us to PINT -- a novel architecture that leverages injective temporal message passing and relative positional features. Importantly, PINT is provably more expressive than both MP-TGNs and WA-TGNs. PINT significantly outperforms existing TGNs on several real-world benchmarks.

18.4LGSep 28, 2023Code
Compositional Sculpting of Iterative Generative Processes

Timur Garipov, Sebastiaan De Peuter, Ge Yang et al.

High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and diffusion models, is that to realize the desired target distribution, all steps of the generative process need to be coordinated, and satisfy delicate balance conditions. In this work, we propose Compositional Sculpting: a general approach for defining compositions of iterative generative processes. We then introduce a method for sampling from these compositions built on classifier guidance. We showcase ways to accomplish compositional sculpting in both GFlowNets and diffusion models. We highlight two binary operations $\unicode{x2014}$ the harmonic mean ($p_1 \otimes p_2$) and the contrast ($p_1 \unicode{x25D1}\,p_2$) between pairs, and the generalization of these operations to multiple component distributions. We offer empirical results on image and molecular generation tasks.

13.0LGOct 12, 2022
Modular Flows: Differential Molecular Generation

Yogesh Verma, Samuel Kaski, Markus Heinonen et al.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

17.0LGNov 10, 2023
Going beyond persistent homology using persistent homology

Johanna Immonen, Amauri H. Souza, Vikas Garg

Representational limits of message-passing graph neural networks (MP-GNNs), e.g., in terms of the Weisfeiler-Leman (WL) test for isomorphism, are well understood. Augmenting these graph models with topological features via persistent homology (PH) has gained prominence, but identifying the class of attributed graphs that PH can recognize remains open. We introduce a novel concept of color-separating sets to provide a complete resolution to this important problem. Specifically, we establish the necessary and sufficient conditions for distinguishing graphs based on the persistence of their connected components, obtained from filter functions on vertex and edge colors. Our constructions expose the limits of vertex- and edge-level PH, proving that neither category subsumes the other. Leveraging these theoretical insights, we propose RePHINE for learning topological features on graphs. RePHINE efficiently combines vertex- and edge-level PH, achieving a scheme that is provably more powerful than both. Integrating RePHINE into MP-GNNs boosts their expressive power, resulting in gains over standard PH on several benchmarks for graph classification.

16.8CVNov 2, 2024Code
Diffusion Models as Cartoonists: The Curious Case of High Density Regions

Rafał Karczewski, Markus Heinonen, Vikas Garg

We investigate what kind of images lie in the high-density regions of diffusion models. We introduce a theoretical mode-tracking process capable of pinpointing the exact mode of the denoising distribution, and we propose a practical high-density sampler that consistently generates images of higher likelihood than usual samplers. Our empirical findings reveal the existence of significantly higher likelihood samples that typical samplers do not produce, often manifesting as cartoon-like drawings or blurry images depending on the noise level. Curiously, these patterns emerge in datasets devoid of such examples. We also present a novel approach to track sample likelihoods in diffusion SDEs, which remarkably incurs no additional computational cost. Code is available at https://github.com/Aalto-QuML/high-density-diffusion.

11.5LGDec 26, 2023Code
Algebraic Positional Encodings

Konstantinos Kogkalidis, Jean-Philippe Bernardy, Vikas Garg

We introduce a novel positional encoding strategy for Transformer-style models, addressing the shortcomings of existing, often ad hoc, approaches. Our framework provides a flexible mapping from the algebraic specification of a domain to an interpretation as orthogonal operators. This design preserves the algebraic characteristics of the source domain, ensuring that the model upholds its desired structural properties. Our scheme can accommodate various structures, ncluding sequences, grids and trees, as well as their compositions. We conduct a series of experiments to demonstrate the practical applicability of our approach. Results suggest performance on par with or surpassing the current state-of-the-art, without hyper-parameter optimizations or "task search" of any kind. Code is available at https://github.com/konstantinosKokos/ape.

14.4LGMar 3, 2025Code
Robust Simulation-Based Inference under Missing Data via Neural Processes

Yogesh Verma, Ayush Bharti, Vikas Garg

Simulation-based inference (SBI) methods typically require fully observed data to infer parameters of models with intractable likelihood functions. However, datasets often contain missing values due to incomplete observations, data corruptions (common in astrophysics), or instrument limitations (e.g., in high-energy physics applications). In such scenarios, missing data must be imputed before applying any SBI method. We formalize the problem of missing data in SBI and demonstrate that naive imputation methods can introduce bias in the estimation of SBI posterior. We also introduce a novel amortized method that addresses this issue by jointly learning the imputation model and the inference network within a neural posterior estimation (NPE) framework. Extensive empirical results on SBI benchmarks show that our approach provides robust inference outcomes compared to standard baselines for varying levels of missing data. Moreover, we demonstrate the merits of our imputation model on two real-world bioactivity datasets (Adrenergic and Kinase assays). Code is available at https://github.com/Aalto-QuML/RISE.

15.7LGFeb 9, 2025Code
Devil is in the Details: Density Guidance for Detail-Aware Generation with Flow Models

Rafał Karczewski, Markus Heinonen, Vikas Garg

Diffusion models have emerged as a powerful class of generative models, capable of producing high-quality images by mapping noise to a data distribution. However, recent findings suggest that image likelihood does not align with perceptual quality: high-likelihood samples tend to be smooth, while lower-likelihood ones are more detailed. Controlling sample density is thus crucial for balancing realism and detail. In this paper, we analyze an existing technique, Prior Guidance, which scales the latent code to influence image detail. We introduce score alignment, a condition that explains why this method works and show that it can be tractably checked for any continuous normalizing flow model. We then propose Density Guidance, a principled modification of the generative ODE that enables exact log-density control during sampling. Finally, we extend Density Guidance to stochastic sampling, ensuring precise log-density control while allowing controlled variation in structure or fine details. Our experiments demonstrate that these techniques provide fine-grained control over image detail without compromising sample quality. Code is available at https://github.com/Aalto-QuML/density-guidance.

13.0LGMay 23, 2025Code
The Spacetime of Diffusion Models: An Information Geometry Perspective

Rafał Karczewski, Markus Heinonen, Alison Pouplin et al.

We present a novel geometric perspective on the latent space of diffusion models. We first show that the standard pullback approach, utilizing the deterministic probability flow ODE decoder, is fundamentally flawed. It provably forces geodesics to decode as straight segments in data space, effectively ignoring any intrinsic data geometry beyond the ambient Euclidean space. Complementing this view, diffusion also admits a stochastic decoder via the reverse SDE, which enables an information geometric treatment with the Fisher-Rao metric. However, a choice of $x_T$ as the latent representation collapses this metric due to memorylessness. We address this by introducing a latent spacetime $z=(x_t,t)$ that indexes the family of denoising distributions $p(x_0 | x_t)$ across all noise scales, yielding a nontrivial geometric structure. We prove these distributions form an exponential family and derive simulation-free estimators for curve lengths, enabling efficient geodesic computation. The resulting structure induces a principled Diffusion Edit Distance, where geodesics trace minimal sequences of noise and denoise edits between data. We also demonstrate benefits for transition path sampling in molecular systems, including constrained variants such as low-variance transitions and region avoidance. Code is available at: https://github.com/rafalkarczewski/spacetime-geometry

31.6AIApr 15, 2024Code
ClimODE: Climate and Weather Forecasting with Physics-informed Neural ODEs

Yogesh Verma, Markus Heinonen, Vikas Garg

Climate and weather prediction traditionally relies on complex numerical simulations of atmospheric physics. Deep learning approaches, such as transformers, have recently challenged the simulation paradigm with complex network forecasts. However, they often act as data-driven black-box models that neglect the underlying physics and lack uncertainty quantification. We address these limitations with ClimODE, a spatiotemporal continuous-time process that implements a key principle of advection from statistical mechanics, namely, weather changes due to a spatial movement of quantities over time. ClimODE models precise weather evolution with value-conserving dynamics, learning global weather transport as a neural flow, which also enables estimating the uncertainty in predictions. Our approach outperforms existing data-driven methods in global and regional forecasting with an order of magnitude smaller parameterization, establishing a new state of the art.

10.4LGOct 31, 2024Code
Diffusion Twigs with Loop Guidance for Conditional Graph Generation

Giangiacomo Mercatali, Yogesh Verma, Andre Freitas et al.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

7.9LGFeb 24, 2024
E(3)-equivariant models cannot learn chirality: Field-based molecular generation

Alexandru Dumitrescu, Dani Korpela, Markus Heinonen et al.

Obtaining the desired effect of drugs is highly dependent on their molecular geometries. Thus, the current prevailing paradigm focuses on 3D point-cloud atom representations, utilizing graph neural network (GNN) parametrizations, with rotational symmetries baked in via E(3) invariant layers. We prove that such models must necessarily disregard chirality, a geometric property of the molecules that cannot be superimposed on their mirror image by rotation and translation. Chirality plays a key role in determining drug safety and potency. To address this glaring issue, we introduce a novel field-based representation, proposing reference rotations that replace rotational symmetry constraints. The proposed model captures all molecular geometries including chirality, while still achieving highly competitive performance with E(3)-based methods across standard benchmarking metrics.

4.6LGMay 23, 2024
Heteroscedastic Preferential Bayesian Optimization with Informative Noise Distributions

Marshal Arijona Sinaga, Julien Martinelli, Vikas Garg et al.

Preferential Bayesian optimization (PBO) is a sample-efficient framework for learning human preferences between candidate designs. PBO classically relies on homoscedastic noise models to represent human aleatoric uncertainty. Yet, such noise fails to accurately capture the varying levels of human aleatoric uncertainty, particularly when the user possesses partial knowledge among different pairs of candidates. For instance, a chemist with solid expertise in glucose-related molecules may easily compare two compounds from that family while struggling to compare alcohol-related molecules. Currently, PBO overlooks this uncertainty during the search for a new candidate through the maximization of the acquisition function, consequently underestimating the risk associated with human uncertainty. To address this issue, we propose a heteroscedastic noise model to capture human aleatoric uncertainty. This model adaptively assigns noise levels based on the distance of a specific input to a predefined set of reliable inputs known as anchors provided by the human. Anchors encapsulate partial knowledge and offer insight into the comparative difficulty of evaluating different candidate pairs. Such a model can be seamlessly integrated into the acquisition function, thus leading to candidate design pairs that elegantly trade informativeness and ease of comparison for the human expert. We perform an extensive empirical evaluation of the proposed approach, demonstrating a consistent improvement over homoscedastic PBO.

3.2ROOct 6, 2025
AD-NODE: Adaptive Dynamics Learning with Neural ODEs for Mobile Robots Control

Shao-Yi Yu, Jen-Wei Wang, Maya Horii et al.

Mobile robots, such as ground vehicles and quadrotors, are becoming increasingly important in various fields, from logistics to agriculture, where they automate processes in environments that are difficult to access for humans. However, to perform effectively in uncertain environments using model-based controllers, these systems require dynamics models capable of responding to environmental variations, especially when direct access to environmental information is limited. To enable such adaptivity and facilitate integration with model predictive control, we propose an adaptive dynamics model which bypasses the need for direct environmental knowledge by inferring operational environments from state-action history. The dynamics model is based on neural ordinary equations, and a two-phase training procedure is used to learn latent environment representations. We demonstrate the effectiveness of our approach through goal-reaching and path-tracking tasks on three robotic platforms of increasing complexity: a 2D differential wheeled robot with changing wheel contact conditions, a 3D quadrotor in variational wind fields, and the Sphero BOLT robot under two contact conditions for real-world deployment. Empirical results corroborate that our method can handle temporally and spatially varying environmental changes in both simulation and real-world systems.

7.1LGJul 16, 2025
Heat Kernel Goes Topological

Maximilian Krahn, Vikas Garg

Topological neural networks have emerged as powerful successors of graph neural networks. However, they typically involve higher-order message passing, which incurs significant computational expense. We circumvent this issue with a novel topological framework that introduces a Laplacian operator on combinatorial complexes (CCs), enabling efficient computation of heat kernels that serve as node descriptors. Our approach captures multiscale information and enables permutation-equivariant representations, allowing easy integration into modern transformer-based architectures. Theoretically, the proposed method is maximally expressive because it can distinguish arbitrary non-isomorphic CCs. Empirically, it significantly outperforms existing topological methods in terms of computational efficiency. Besides demonstrating competitive performance with the state-of-the-art descriptors on standard molecular datasets, it exhibits superior capability in distinguishing complex topological structures and avoiding blind spots on topological benchmarks. Overall, this work advances topological deep learning by providing expressive yet scalable representations, thereby opening up exciting avenues for molecular classification and property prediction tasks.

4.1LGApr 28, 2025
Heterophily-informed Message Passing

Haishan Wang, Arno Solin, Vikas Garg

Graph neural networks (GNNs) are known to be vulnerable to oversmoothing due to their implicit homophily assumption. We mitigate this problem with a novel scheme that regulates the aggregation of messages, modulating the type and extent of message passing locally thereby preserving both the low and high-frequency components of information. Our approach relies solely on learnt embeddings, obviating the need for auxiliary labels, thus extending the benefits of heterophily-aware embeddings to broader applications, e.g., generative modelling. Our experiments, conducted across various data sets and GNN architectures, demonstrate performance enhancements and reveal heterophily patterns across standard classification benchmarks. Furthermore, application to molecular generation showcases notable performance improvements on chemoinformatics benchmarks.

14.2LGJun 5, 2024
Topological Neural Networks go Persistent, Equivariant, and Continuous

Yogesh Verma, Amauri H Souza, Vikas Garg

Topological Neural Networks (TNNs) incorporate higher-order relational information beyond pairwise interactions, enabling richer representations than Graph Neural Networks (GNNs). Concurrently, topological descriptors based on persistent homology (PH) are being increasingly employed to augment the GNNs. We investigate the benefits of integrating these two paradigms. Specifically, we introduce TopNets as a broad framework that subsumes and unifies various methods in the intersection of GNNs/TNNs and PH such as (generalizations of) RePHINE and TOGL. TopNets can also be readily adapted to handle (symmetries in) geometric complexes, extending the scope of TNNs and PH to spatial settings. Theoretically, we show that PH descriptors can provably enhance the expressivity of simplicial message-passing networks. Empirically, (continuous and E(n)-equivariant extensions of) TopNets achieve strong performance across diverse tasks, including antibody design, molecular dynamics simulation, and drug property prediction.

15.5LGMay 31, 2023
AbODE: Ab Initio Antibody Design using Conjoined ODEs

Yogesh Verma, Markus Heinonen, Vikas Garg

Antibodies are Y-shaped proteins that neutralize pathogens and constitute the core of our adaptive immune system. De novo generation of new antibodies that target specific antigens holds the key to accelerating vaccine discovery. However, this co-design of the amino acid sequence and the 3D structure subsumes and accentuates some central challenges from multiple tasks, including protein folding (sequence to structure), inverse folding (structure to sequence), and docking (binding). We strive to surmount these challenges with a new generative model AbODE that extends graph PDEs to accommodate both contextual information and external interactions. Unlike existing approaches, AbODE uses a single round of full-shot decoding and elicits continuous differential attention that encapsulates and evolves with latent interactions within the antibody as well as those involving the antigen. We unravel fundamental connections between AbODE and temporal networks as well as graph-matching networks. The proposed model significantly outperforms existing methods on standard metrics across benchmarks.

37.1LGFeb 14, 2020
Generalization and Representational Limits of Graph Neural Networks

Vikas K. Garg, Stefanie Jegelka, Tommi Jaakkola

We address two fundamental questions about graph neural networks (GNNs). First, we prove that several important graph properties cannot be computed by GNNs that rely entirely on local information. Such GNNs include the standard message passing models, and more powerful spatial variants that exploit local graph structure (e.g., via relative orientation of messages, or local port ordering) to distinguish neighbors of each node. Our treatment includes a novel graph-theoretic formalism. Second, we provide the first data dependent generalization bounds for message passing GNNs. This analysis explicitly accounts for the local permutation invariance of GNNs. Our bounds are much tighter than existing VC-dimension based guarantees for GNNs, and are comparable to Rademacher bounds for recurrent neural networks.

7.9LGFeb 13, 2020
Learn to Expect the Unexpected: Probably Approximately Correct Domain Generalization

Vikas K. Garg, Adam Kalai, Katrina Ligett et al.

Domain generalization is the problem of machine learning when the training data and the test data come from different data domains. We present a simple theoretical model of learning to generalize across domains in which there is a meta-distribution over data distributions, and those data distributions may even have different supports. In our model, the training data given to a learning algorithm consists of multiple datasets each from a single domain drawn in turn from the meta-distribution. We study this model in three different problem settings---a multi-domain Massart noise setting, a decision tree multi-dataset setting, and a feature selection setting, and find that computationally efficient, polynomial-sample domain generalization is possible in each. Experiments demonstrate that our feature selection algorithm indeed ignores spurious correlations and improves generalization.

4.1LGAug 27, 2019
Multiresolution Transformer Networks: Recurrence is Not Essential for Modeling Hierarchical Structure

Vikas K. Garg, Inderjit S. Dhillon, Hsiang-Fu Yu

The architecture of Transformer is based entirely on self-attention, and has been shown to outperform models that employ recurrence on sequence transduction tasks such as machine translation. The superior performance of Transformer has been attributed to propagating signals over shorter distances, between positions in the input and the output, compared to the recurrent architectures. We establish connections between the dynamics in Transformer and recurrent networks to argue that several factors including gradient flow along an ensemble of multiple weakly dependent paths play a paramount role in the success of Transformer. We then leverage the dynamics to introduce {\em Multiresolution Transformer Networks} as the first architecture that exploits hierarchical structure in data via self-attention. Our models significantly outperform state-of-the-art recurrent and hierarchical recurrent models on two real-world datasets for query suggestion, namely, \aol and \amazon. In particular, on AOL data, our model registers at least 20\% improvement on each precision score, and over 25\% improvement on the BLEU score with respect to the best performing recurrent model. We thus provide strong evidence that recurrence is not essential for modeling hierarchical structure.

1.0LGMay 29, 2019
Strategic Prediction with Latent Aggregative Games

Vikas K. Garg, Tommi Jaakkola

We introduce a new class of context dependent, incomplete information games to serve as structured prediction models for settings with significant strategic interactions. Our games map the input context to outcomes by first condensing the input into private player types that specify the utilities, weighted interactions, as well as the initial strategies for the players. The game is played over multiple rounds where players respond to weighted aggregates of their neighbors' strategies. The predicted output from the model is a mixed strategy profile (a near-Nash equilibrium) and each observation is thought of as a sample from this strategy profile. We introduce two new aggregator paradigms with provably convergent game dynamics, and characterize the conditions under which our games are identifiable from data. Our games can be parameterized in a transferable manner so that the sets of players can change from one game to another. We demonstrate empirically that our games as models can recover meaningful strategic interactions from real voting data.

8.1LGMay 29, 2019
Solving graph compression via optimal transport

Vikas K. Garg, Tommi Jaakkola

We propose a new approach to graph compression by appeal to optimal transport. The transport problem is seeded with prior information about node importance, attributes, and edges in the graph. The transport formulation can be setup for either directed or undirected graphs, and its dual characterization is cast in terms of distributions over the nodes. The compression pertains to the support of node distributions and makes the problem challenging to solve directly. To this end, we introduce Boolean relaxations and specify conditions under which these relaxations are exact. The relaxations admit algorithms with provably fast convergence. Moreover, we provide an exact $O(d \log d)$ algorithm for the subproblem of projecting a $d$-dimensional vector to transformed simplex constraints. Our method outperforms state-of-the-art compression methods on graph classification.

0.8LGOct 16, 2018
Online Markov Decoding: Lower Bounds and Near-Optimal Approximation Algorithms

Vikas K. Garg, Tamar Pichkhadze

We resolve the fundamental problem of online decoding with general $n^{th}$ order ergodic Markov chain models. Specifically, we provide deterministic and randomized algorithms whose performance is close to that of the optimal offline algorithm even when latency is small. Our algorithms admit efficient implementation via dynamic programs, and readily extend to (adversarial) non-stationary or time-varying settings. We also establish lower bounds for online methods under latency constraints in both deterministic and randomized settings, and show that no online algorithm can perform significantly better than our algorithms. Empirically, just with latency one, our algorithm outperforms the online step algorithm by over 30\% in terms of decoding agreement with the optimal algorithm on genome sequence data.

5.7LGMar 6, 2018
Learning SMaLL Predictors

Vikas K. Garg, Ofer Dekel, Lin Xiao

We present a new machine learning technique for training small resource-constrained predictors. Our algorithm, the Sparse Multiprototype Linear Learner (SMaLL), is inspired by the classic machine learning problem of learning $k$-DNF Boolean formulae. We present a formal derivation of our algorithm and demonstrate the benefits of our approach with a detailed empirical study.

21.1AISep 14, 2017
Supervising Unsupervised Learning

Vikas K. Garg, Adam Kalai

We introduce a framework to leverage knowledge acquired from a repository of (heterogeneous) supervised datasets to new unsupervised datasets. Our perspective avoids the subjectivity inherent in unsupervised learning by reducing it to supervised learning, and provides a principled way to evaluate unsupervised algorithms. We demonstrate the versatility of our framework via simple agnostic bounds on unsupervised problems. In the context of clustering, our approach helps choose the number of clusters and the clustering algorithm, remove the outliers, and provably circumvent the Kleinberg's impossibility result. Experimental results across hundreds of problems demonstrate improved performance on unsupervised data with simple algorithms, despite the fact that our problems come from heterogeneous domains. Additionally, our framework lets us leverage deep networks to learn common features from many such small datasets, and perform zero shot learning.

4.9LGDec 29, 2016
Meta-Unsupervised-Learning: A supervised approach to unsupervised learning

Vikas K. Garg, Adam Tauman Kalai

We introduce a new paradigm to investigate unsupervised learning, reducing unsupervised learning to supervised learning. Specifically, we mitigate the subjectivity in unsupervised decision-making by leveraging knowledge acquired from prior, possibly heterogeneous, supervised learning tasks. We demonstrate the versatility of our framework via comprehensive expositions and detailed experiments on several unsupervised problems such as (a) clustering, (b) outlier detection, and (c) similarity prediction under a common umbrella of meta-unsupervised-learning. We also provide rigorous PAC-agnostic bounds to establish the theoretical foundations of our framework, and show that our framing of meta-clustering circumvents Kleinberg's impossibility theorem for clustering.

2.1LGJun 25, 2015
CRAFT: ClusteR-specific Assorted Feature selecTion

Vikas K. Garg, Cynthia Rudin, Tommi Jaakkola

We present a framework for clustering with cluster-specific feature selection. The framework, CRAFT, is derived from asymptotic log posterior formulations of nonparametric MAP-based clustering models. CRAFT handles assorted data, i.e., both numeric and categorical data, and the underlying objective functions are intuitively appealing. The resulting algorithm is simple to implement and scales nicely, requires minimal parameter tuning, obviates the need to specify the number of clusters a priori, and compares favorably with other methods on real datasets.

8.4CVApr 19, 2015
DEEP-CARVING: Discovering Visual Attributes by Carving Deep Neural Nets

Sukrit Shankar, Vikas K. Garg, Roberto Cipolla

Most of the approaches for discovering visual attributes in images demand significant supervision, which is cumbersome to obtain. In this paper, we aim to discover visual attributes in a weakly supervised setting that is commonly encountered with contemporary image search engines. Deep Convolutional Neural Networks (CNNs) have enjoyed remarkable success in vision applications recently. However, in a weakly supervised scenario, widely used CNN training procedures do not learn a robust model for predicting multiple attribute labels simultaneously. The primary reason is that the attributes highly co-occur within the training data. To ameliorate this limitation, we propose Deep-Carving, a novel training procedure with CNNs, that helps the net efficiently carve itself for the task of multiple attribute prediction. During training, the responses of the feature maps are exploited in an ingenious way to provide the net with multiple pseudo-labels (for training images) for subsequent iterations. The process is repeated periodically after a fixed number of iterations, and enables the net carve itself iteratively for efficiently disentangling features. Additionally, we contribute a noun-adjective pairing inspired Natural Scenes Attributes Dataset to the research community, CAMIT - NSAD, containing a number of co-occurring attributes within a noun category. We describe, in detail, salient aspects of this dataset. Our experiments on CAMIT-NSAD and the SUN Attributes Dataset, with weak supervision, clearly demonstrate that the Deep-Carved CNNs consistently achieve considerable improvement in the precision of attribute prediction over popular baseline methods.