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Mohammad Emtiyaz Khan

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Published work

13 published item(s)

preprint2026arXiv

Position: agentic AI orchestration should be Bayes-consistent

LLMs excel at predictive tasks and complex reasoning tasks, but many high-value deployments rely on decisions under uncertainty, for example, which tool to call, which expert to consult, or how many resources to invest. While the usefulness and feasibility of Bayesian approaches remain unclear for LLM inference, this position paper argues that the control layer of an agentic AI system (that orchestrates LLMs and tools) is a clear case where Bayesian principles should shine. Bayesian decision theory provides a framework for agentic systems that can help to maintain beliefs over task-relevant latent quantities, to update these beliefs from observed agentic and human-AI interactions, and to choose actions. Making LLMs themselves explicitly Bayesian belief-updating engines remains computationally intensive and conceptually nontrivial as a general modeling target. In contrast, this paper argues that coherent decision-making requires Bayesian principles at the orchestration level of the agentic system, not necessarily the LLM agent parameters. This paper articulates practical properties for Bayesian control that fit modern agentic AI systems and human-AI collaboration, and provides concrete examples and design patterns to illustrate how calibrated beliefs and utility-aware policies can improve agentic AI orchestration.

preprint2024arXiv

Bridging the Gap Between Target Networks and Functional Regularization

Bootstrapping is behind much of the successes of Deep Reinforcement Learning. However, learning the value function via bootstrapping often leads to unstable training due to fast-changing target values. Target Networks are employed to stabilize training by using an additional set of lagging parameters to estimate the target values. Despite the popularity of Target Networks, their effect on the optimization is still misunderstood. In this work, we show that they act as an implicit regularizer. This regularizer has disadvantages such as being inflexible and non convex. To overcome these issues, we propose an explicit Functional Regularization that is a convex regularizer in function space and can easily be tuned. We analyze the convergence of our method theoretically and empirically demonstrate that replacing Target Networks with the more theoretically grounded Functional Regularization approach leads to better sample efficiency and performance improvements.

preprint2022arXiv

Dual Parameterization of Sparse Variational Gaussian Processes

Sparse variational Gaussian process (SVGP) methods are a common choice for non-conjugate Gaussian process inference because of their computational benefits. In this paper, we improve their computational efficiency by using a dual parameterization where each data example is assigned dual parameters, similarly to site parameters used in expectation propagation. Our dual parameterization speeds-up inference using natural gradient descent, and provides a tighter evidence lower bound for hyperparameter learning. The approach has the same memory cost as the current SVGP methods, but it is faster and more accurate.

preprint2022arXiv

Tractable structured natural gradient descent using local parameterizations

Natural-gradient descent (NGD) on structured parameter spaces (e.g., low-rank covariances) is computationally challenging due to difficult Fisher-matrix computations. We address this issue by using \emph{local-parameter coordinates} to obtain a flexible and efficient NGD method that works well for a wide-variety of structured parameterizations. We show four applications where our method (1) generalizes the exponential natural evolutionary strategy, (2) recovers existing Newton-like algorithms, (3) yields new structured second-order algorithms via matrix groups, and (4) gives new algorithms to learn covariances of Gaussian and Wishart-based distributions. We show results on a range of problems from deep learning, variational inference, and evolution strategies. Our work opens a new direction for scalable structured geometric methods.

preprint2021arXiv

Continual Deep Learning by Functional Regularisation of Memorable Past

Continually learning new skills is important for intelligent systems, yet standard deep learning methods suffer from catastrophic forgetting of the past. Recent works address this with weight regularisation. Functional regularisation, although computationally expensive, is expected to perform better, but rarely does so in practice. In this paper, we fix this issue by using a new functional-regularisation approach that utilises a few memorable past examples crucial to avoid forgetting. By using a Gaussian Process formulation of deep networks, our approach enables training in weight-space while identifying both the memorable past and a functional prior. Our method achieves state-of-the-art performance on standard benchmarks and opens a new direction for life-long learning where regularisation and memory-based methods are naturally combined.

preprint2020arXiv

Approximate Inference Turns Deep Networks into Gaussian Processes

Deep neural networks (DNN) and Gaussian processes (GP) are two powerful models with several theoretical connections relating them, but the relationship between their training methods is not well understood. In this paper, we show that certain Gaussian posterior approximations for Bayesian DNNs are equivalent to GP posteriors. This enables us to relate solutions and iterations of a deep-learning algorithm to GP inference. As a result, we can obtain a GP kernel and a nonlinear feature map while training a DNN. Surprisingly, the resulting kernel is the neural tangent kernel. We show kernels obtained on real datasets and demonstrate the use of the GP marginal likelihood to tune hyperparameters of DNNs. Our work aims to facilitate further research on combining DNNs and GPs in practical settings.

preprint2020arXiv

Beyond Unfolding: Exact Recovery of Latent Convex Tensor Decomposition under Reshuffling

Exact recovery of tensor decomposition (TD) methods is a desirable property in both unsupervised learning and scientific data analysis. The numerical defects of TD methods, however, limit their practical applications on real-world data. As an alternative, convex tensor decomposition (CTD) was proposed to alleviate these problems, but its exact-recovery property is not properly addressed so far. To this end, we focus on latent convex tensor decomposition (LCTD), a practically widely-used CTD model, and rigorously prove a sufficient condition for its exact-recovery property. Furthermore, we show that such property can be also achieved by a more general model than LCTD. In the new model, we generalize the classic tensor (un-)folding into reshuffling operation, a more flexible mapping to relocate the entries of the matrix into a tensor. Armed with the reshuffling operations and exact-recovery property, we explore a totally novel application for (generalized) LCTD, i.e., image steganography. Experimental results on synthetic data validate our theory, and results on image steganography show that our method outperforms the state-of-the-art methods.

preprint2020arXiv

Fast Variational Learning in State-Space Gaussian Process Models

Gaussian process (GP) regression with 1D inputs can often be performed in linear time via a stochastic differential equation formulation. However, for non-Gaussian likelihoods, this requires application of approximate inference methods which can make the implementation difficult, e.g., expectation propagation can be numerically unstable and variational inference can be computationally inefficient. In this paper, we propose a new method that removes such difficulties. Building upon an existing method called conjugate-computation variational inference, our approach enables linear-time inference via Kalman recursions while avoiding numerical instabilities and convergence issues. We provide an efficient JAX implementation which exploits just-in-time compilation and allows for fast automatic differentiation through large for-loops. Overall, our approach leads to fast and stable variational inference in state-space GP models that can be scaled to time series with millions of data points.

preprint2020arXiv

Training Binary Neural Networks using the Bayesian Learning Rule

Neural networks with binary weights are computation-efficient and hardware-friendly, but their training is challenging because it involves a discrete optimization problem. Surprisingly, ignoring the discrete nature of the problem and using gradient-based methods, such as the Straight-Through Estimator, still works well in practice. This raises the question: are there principled approaches which justify such methods? In this paper, we propose such an approach using the Bayesian learning rule. The rule, when applied to estimate a Bernoulli distribution over the binary weights, results in an algorithm which justifies some of the algorithmic choices made by the previous approaches. The algorithm not only obtains state-of-the-art performance, but also enables uncertainty estimation for continual learning to avoid catastrophic forgetting. Our work provides a principled approach for training binary neural networks which justifies and extends existing approaches.

preprint2019arXiv

A Generalization Bound for Online Variational Inference

Bayesian inference provides an attractive online-learning framework to analyze sequential data, and offers generalization guarantees which hold even with model mismatch and adversaries. Unfortunately, exact Bayesian inference is rarely feasible in practice and approximation methods are usually employed, but do such methods preserve the generalization properties of Bayesian inference ? In this paper, we show that this is indeed the case for some variational inference (VI) algorithms. We consider a few existing online, tempered VI algorithms, as well as a new algorithm, and derive their generalization bounds. Our theoretical result relies on the convexity of the variational objective, but we argue that the result should hold more generally and present empirical evidence in support of this. Our work in this paper presents theoretical justifications in favor of online algorithms relying on approximate Bayesian methods.

preprint2016arXiv

Faster Stochastic Variational Inference using Proximal-Gradient Methods with General Divergence Functions

Several recent works have explored stochastic gradient methods for variational inference that exploit the geometry of the variational-parameter space. However, the theoretical properties of these methods are not well-understood and these methods typically only apply to conditionally-conjugate models. We present a new stochastic method for variational inference which exploits the geometry of the variational-parameter space and also yields simple closed-form updates even for non-conjugate models. We also give a convergence-rate analysis of our method and many other previous methods which exploit the geometry of the space. Our analysis generalizes existing convergence results for stochastic mirror-descent on non-convex objectives by using a more general class of divergence functions. Beyond giving a theoretical justification for a variety of recent methods, our experiments show that new algorithms derived in this framework lead to state of the art results on a variety of problems. Further, due to its generality, we expect that our theoretical analysis could also apply to other applications.

preprint2015arXiv

UAVs using Bayesian Optimization to Locate WiFi Devices

We address the problem of localizing non-collaborative WiFi devices in a large region. Our main motive is to localize humans by localizing their WiFi devices, e.g. during search-and-rescue operations after a natural disaster. We use an active sensing approach that relies on Unmanned Aerial Vehicles (UAVs) to collect signal-strength measurements at informative locations. The problem is challenging since the measurement is received at arbitrary times and they are received only when the UAV is in close proximity to the device. For these reasons, it is extremely important to make prudent decision with very few measurements. We use the Bayesian optimization approach based on Gaussian process (GP) regression. This approach works well for our application since GPs give reliable predictions with very few measurements while Bayesian optimization makes a judicious trade-off between exploration and exploitation. In field experiments conducted over a region of 1000 $\times$ 1000 $m^2$, we show that our approach reduces the search area to less than 100 meters around the WiFi device within 5 minutes only. Overall, our approach localizes the device in less than 15 minutes with an error of less than 20 meters.

preprint2013arXiv

Fast Dual Variational Inference for Non-Conjugate LGMs

Latent Gaussian models (LGMs) are widely used in statistics and machine learning. Bayesian inference in non-conjugate LGMs is difficult due to intractable integrals involving the Gaussian prior and non-conjugate likelihoods. Algorithms based on variational Gaussian (VG) approximations are widely employed since they strike a favorable balance between accuracy, generality, speed, and ease of use. However, the structure of the optimization problems associated with these approximations remains poorly understood, and standard solvers take too long to converge. We derive a novel dual variational inference approach that exploits the convexity property of the VG approximations. We obtain an algorithm that solves a convex optimization problem, reduces the number of variational parameters, and converges much faster than previous methods. Using real-world data, we demonstrate these advantages on a variety of LGMs, including Gaussian process classification, and latent Gaussian Markov random fields.