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Binary Search with Distributional Predictions

Michael Dinitz
Johns Hopkins University
[email protected]
Supported in part by NSF awards 1909111 and 2228995.
   Sungjin Im
UC Merced
[email protected]
Supported in part by NSF awards 1844939, 2121745, and 2423106, and by ONR grant N00014-22-1-2701.
   Thomas Lavastida
University of Texas at Dallas
[email protected]
   Benjamin Moseley33footnotemark: 3
Carnegie Mellon University
[email protected]
   Aidin Niaparast
Carnegie Mellon University
[email protected]
Supported in part by a Google Research Award, an Infor Research Award, a Carnegie Bosch Junior Faculty Chair, NSF grants CCF-2121744 and CCF-1845146 and ONR Grant N000142212702.
   Sergei Vassilvitskii
Google Research
[email protected]
Abstract

Algorithms with (machine-learned) predictions is a powerful framework for combining traditional worst-case algorithms with modern machine learning. However, the vast majority of work in this space assumes that the prediction itself is non-probabilistic, even if it is generated by some stochastic process (such as a machine learning system). This is a poor fit for modern ML, particularly modern neural networks, which naturally generate a distribution. We initiate the study of algorithms with distributional predictions, where the prediction itself is a distribution. We focus on one of the simplest yet fundamental settings: binary search (or searching a sorted array). This setting has one of the simplest algorithms with a point prediction, but what happens if the prediction is a distribution? We show that this is a richer setting: there are simple distributions where using the classical prediction-based algorithm with any single prediction does poorly. Motivated by this, as our main result, we give an algorithm with query complexity O(H(p)+logη)O(H(p)+\log\eta), where H(p)H(p) is the entropy of the true distribution pp and η\eta is the earth mover’s distance between pp and the predicted distribution p^\hat{p}. This also yields the first distributionally-robust algorithm for the classical problem of computing an optimal binary search tree given a distribution over target keys. We complement this with a lower bound showing that this query complexity is essentially optimal (up to constants), and experiments validating the practical usefulness of our algorithm.

1 Introduction

Algorithms with predictions, or algorithms with machine-learned advice, has proved to be a useful framework for combining machine learning (which is extremely useful in the usual case but can be quite bad when in the worst case) with traditional worst-case algorithms (which are quite good in the worst-case but do not do as well as we might hope in the usual case). While similar ideas have appeared in many places in the past, the formal study of this setting was pioneered by Lykouris and Vassilvitskii [24], and was particularly motivated by the practical success of learned index structures [20]. The goal is usually to design an algorithm for some classical and important problem in the setting when we are also provided with some type of “advice” or “prediction” (presumably given by some machine learning algorithm) as to what the instance is like. If the advice is “good” then we want our algorithm to do extremely well, while if the advice is “bad” then we want to inherit the traditional worst-case guarantee. In other words, we want the best of both worlds: good performance in the average case thanks to machine learning, but also robustness and good performance in the worst-case from traditional algorithms.

Consider the basic problem of searching for a key in a sorted array. This problem is the first example considered in the survey of Mitzenmacher and Vassilvitskii [28], as it is perhaps one of the simplest yet also best-motivated settings. Given a sorted array with nn elements and a target key ii, we can of course do a binary search for ii using only O(logn)O(\log n) comparisons to find its location α(i)\alpha(i). But suppose that we additionally receive a prediction α^(i)[n]\hat{\alpha}(i)\in[n] of the location of the target key ii in the array, possibly from some machine learning system which attempts to predict the correct location for each key. If the prediction is perfect (α(i)=α^(i)\alpha(i)=\hat{\alpha}(i)), then it is easy to use this prediction: only one comparison is needed! On the other hand, if the prediction is meaningless, then we can run classical binary search. But what if the prediction is “close”? It turns out that “doubling binary search” from the predicted point can be used to design an algorithm which makes at most O(log(|α^(i)α(i)|))O(\log(|\hat{\alpha}(i)-\alpha(i)|)) comparisons [28]. So if the prediction is very close to the true location then we make very few queries, while if it is very far away then we recover the traditional binary search comparison bound.

The ability to obtain these types of results has led to an explosion of interest in algorithms with predictions; see Section 1.2 for some references. Sometimes the prediction itself is simple, as in the search problem, while sometimes it is quite complex, for instance encompassing a multi-dimensional vector. However, with only a few exceptions such as Diakonikolas et al. [12] and Angelopoulos et al. [5], which will be discussed in Section 1.2 in detail, all of these papers share an important feature: the prediction itself is non-probabilistic. That is, the prediction is a single (potentially high-dimensional) point (or maybe a small number of such points). While making the setting simpler, this is not a good match with the actual output of most ML systems (particularly modern neural networks), which inherently output a distribution. The question we study in this work is how to take advantage of the full richness of the prediction. Of course, we can always turn a distribution into a single point in any number of ways (using a max likelihood estimator (MLE), sampling from the distribution, etc.). But is that always the right thing to do? Or, can we in fact do better by taking full advantage of the entire predicted distribution?

1.1 Our Results and Contributions

In this paper we initiate the study of algorithms with distributional predictions, focusing on the basic search in a sorted array problem described above. In addition to the classic O(logn)O(\log n) comparisons binary search for an array of size nn, we recall the “median” or “bisection” algorithm (first described by Knuth [19] and analyzed by Mehlhorn [27]) which probes the cell representing the median of the distribution, and recurses appropriately. When the target keys are indeed drawn from the given distribution, the expected query complexity (i.e. number of comparisons between elements in the array and the target) is bounded by H(p)+1H(p)+1, where H(p)H(p) is the entropy of the distribution [27]. (Note that when the distribution is uniform over nn elements, this recovers the O(logn)O(\log n) binary search bound). This is in fact essentially optimal: it is known that every algorithm requires at least H(p)/3H(p)/3 queries in expectation when target keys are drawn from pp [27].

On the other hand, it is easy to see that if target keys are not drawn from pp, then this algorithm can be arbitrarily bad: it can easily be made to use Ω(n)\Omega(n) comparisons in expectation. So our main question is the following: how can we best utilize a prediction p^\hat{p} which is not the true distribution pp? Can we recover the near-optimality of the median algorithm without being subject to its worst-case performance?

Reduction to point distributions.

We first show in Section 2.1 that the obvious approach, of reducing p^\hat{p} to a point prediction (whether by sampling, using a max-likelihood prediction, or some other method) and then using previous algorithms, is a bad idea that can lead to poor worst-case performance. In addition to ruling out a natural class of algorithms, this gives additional motivation to our study of distributional predictions: as discussed, essentially all previous work studies the case in which the prediction is a single point (in this case, location); yet, most machine-learning systems will actually output a distribution. So our lower bound implies that any of these traditional point-based algorithms, no matter how good the bound obtained compared to their prediction, must suffer fundamentally poor performance in the real world where target keys actually come from a distribution.

Main algorithm.

We then give our main result in Section 3: an algorithm which interleaves phases of the “median” algorithm and classical binary search to obtain a query complexity of O(H(p)+logη)O(H(p)+\log\eta), where η\eta is the earth mover’s distance (EMD, also known as the Wasserstein W1W_{1} metric) between pp and p^\hat{p}, See Section 3 for precise details. Note that H(p)O(logn)H(p)\leq O(\log n) and logηlogn\log\eta\leq\log n. So if our prediction p^\hat{p} is close to pp, then our algorithm has performance essentially equal to the best possible bound H(p)H(p). On the other hand, if our prediction p^\hat{p} is far from pp (so provides essentially no information), we do not suffer the poor performance of naively believing in p^\hat{p} and running the median algorithm on it, instead recovering a bound of O(H(p)+logη)=O(logn)O(H(p)+\log\eta)=O(\log n).

While there are many notions of “distance” between distributions, EMD is a natural one in our setting. Many other notions of distance, like 1\ell_{1}, do not take the geometry of the line into account. For example, consider some distribution pp over [n][n], and let pp^{\prime} be the distribution obtained from pp by moving γ/2\gamma/2 probability mass from 11 to 22, and let p′′p^{\prime\prime} be the distribution obtained from pp by moving γ/2\gamma/2 probability mass from 11 to nn. Then the 1\ell_{1} distance between pp and pp^{\prime} is γ\gamma, and so is the 1\ell_{1} distance between pp and p′′p^{\prime\prime}. Yet clearly pp^{\prime} is a “more accurate” prediction for pp. The earth mover’s distance recognizes this fact, and so is a more appropriate measure than 1\ell_{1}. Similarly, popular measures such as KL-divergence (which are not technically metrics, but do give a notion of distance) suffer the same flaws as 1\ell_{1} while also being extraordinarily sensitive to mismatches in the support (the KL-divergence can be infinite if the supports of the two distributions do not agree).

Distributional robustness of optimal binary search trees.

We have so far discussed a distributional prediction setting where a target key arrives with a predicted distribution p^\hat{p} of its location. This is a strict generalization of [28], where the prediction is a single location in the array. In their model, the location is error prone and in ours the distribution over locations is error prone. Our goal is to construct an effective search strategy given the target and the prediction.

But there is another related setting: there is a single (unknown) distribution over target keys, and we are given a (possibly erroneous) prediction of this distribution and are asked to design a search algorithm with minimum expected lookup time when target keys are drawn from the true distribution. In other words, instead of each target key coming with a predicted distribution p^\hat{p} over locations in [n][n] and the true location being drawn from some true distribution pp, we are given ahead of time a predicted distribution p^\hat{p} over target keys [n][n], and are asked to design a lookup algorithm for inputs that use this distribution. But then these target keys in the input are actually drawn from pp rather than p^\hat{p}, and do not come with target-specific predictions.

Since any comparison-based search algorithm is equivalent to a particular binary search tree, if p^=p\hat{p}=p then this is precisely the classical problem of computing an optimal binary search tree [27]. So we can interpret our results as providing distributionally-robust optimal BSTs: given p^\hat{p}, we can efficiently compute a BST where the expected lookup time under the true (but unknown) query distribution pp is at most O(H(p)+logη)O(H(p)+\log\eta). Surprisingly, given the classical nature of computing optimal (or near-optimal) BSTs, this simple question of “what if my distribution is incorrect?” has not been considered in the data structures and algorithms literature.

Worst case lower bound.

We complement our algorithmic development with a lower bound in Section 3.2, proving that no algorithm can use fewer than Ω(logη)\Omega(\log\eta) queries in the worst case. Since Ω(H(p))\Omega(H(p)) is a known lower bound as well even if pp is known perfectly [27], this implies that our algorithm is asymptotically tight. So if we measure accuracy of the prediction via EMD, no algorithm can make asymptotically better use of a distributional prediction.

Portfolios of predictions.

There has been recent interest in the study of algorithm with multiple predictions, sometimes called prediction portfolios. See, for example, [6, 14, 4, 17]. The goal is usually to do as well as the best of the predictions in the portfolio, with the difficulty being that we do not know a priori which of these predictions is best. We extend our main algorithm to this setting in Section 4, showing that it is possible to use multiple distributional predictions effectively.

Experiments.

Finally, in Section 5 we give empirical evidence of the efficacy of the algorithm we propose. We first use synthetic data to demonstrate the effect of distribution error on the performance of the algorithm. We then evaluate it on a number of real world datasets.

1.2 Other Related Work

Machine learning augmented algorithms have found applications in various areas — for example, online algorithms [24, 30], combinatorial algorithms [13, 11], differential privacy [3], data structures [22, 32, 25, 26] and mechanism design [1], to name a few. In particular, online algorithms have been extensively studied with ML advice for various problems, such as online caching [24], ski-rental [30], scheduling [21], knapsack [16], set cover [7], and more [23]. Due to the vast literature, we only provide a few samples.

Particularly relevant to our setting is the work of Lin et al. [22], which initiated the study of predictions for binary search trees. This work investigates how to improve a treap’s guarantees when item frequencies follow distributions such as the Zipfian distribution.

As discussed earlier, in ML augmented algorithms, predictions are typically given in the form of specific values, rather than distributions. Here, we discuss a few exceptions. The work by Diakonikolas et al. [12] studies the ski-rental problem and prophet inequalities with access to i.i.d. samples from an unknown distribution. Their focus lies on the sample complexity and not on the correctness of the distribution. Indeed, they obtain robustness by combining their consistent algorithm and the best worst-case algorithm in a black-box manner. In contrast, we assume full access to a distributional prediction and develop new ideas to obtain a tight trade-off between consistency and robustness, in conjunction with natural error measures involving entropy and the earth mover’s distance, which take the accuracy of the distributional prediction into account.

More broadly the question of how to improve performance of problems where either full instances, or some model parameters come from a known distribution is well studied under the rubric of two-stage stochastic optimization [31, 2], with techniques like Sample Average Approximation (SAA) [18] having a rich history. Similar to our setting, one can look at the robust setting, where the distribution available to the algorithm is different from the true distribution that examples are drawn from, see e.g., [8, 15, 9, 10]. Typically in these cases one assumes a bound on the difference between the two distributions, explicitly choosing what to hedge against, and then derives optimal strategies. In contrast, in this work we aim to find a smooth trade-off on the performance of the algorithm as a function of the distance between the two distributions, coupled with an upper bound on worst-case performance.

Finally, the very recent work of Angelopoulos et al. [5] is one of the few that consider distributional predictions. It shows an optimal tradeoff between consistency and robustness for a scheduling problem. However, their solution space explored is considerably more limited than ours, essentially consisting of geometric sequences with a multiplicative ratio of 2, each characterized by its starting point. Further, their bound analysis is restricted to cases where the error is sufficiently small. In contrast, our work demonstrates how a binary search algorithm can compare generally to earth mover’s distance (EMD) and a lower bound on the optimum for any predicted distribution. As a result, we develop novel algorithmic solutions that build upon a close connection to EMD.

2 Preliminaries

We now formally describe our problem and setting. Let a1<<ana_{1}<\dots<a_{n} be a set of nn keys, and p=(p1,,pn)p=(p_{1},\ldots,p_{n}) be a probability distribution over the keys. Our goal is to develop a search strategy (or search algorithm), which takes a target key aa as input, and finds a position ii such that ai=aa_{i}=a. We aim to find search strategies with low expected search cost when the target key aa is sampled according to the distribution pp.

In our analysis we will consider the number of comparisons, also known as the query complexity, as the main metric of study. This metric captures the information theoretic complexity of the problem, and ignores computational overhead. Formally, let the search cost C(ai)C(a_{i}) of finding aia_{i} be the number of comparisons done by the algorithm when the target key is aia_{i}. The expected search cost is then i=1npiC(ai)\sum_{i=1}^{n}p_{i}C(a_{i}).

To aid in this goal, we are given a prediction, p^=(p^1,,p^n)\hat{p}=(\hat{p}_{1},\ldots,\hat{p}_{n}), of pp. To account for the fact that the predicted distribution may be incorrect, we let η\eta denote the earth mover’s distance (EMD) between pp and p^\hat{p}. The EMD between two distributions PP and QQ is the solution to the optimal transport problem between them, or more formally, it is infγΠ(P,Q)𝔼(x,y)γ[d(x,y)]\inf_{\gamma\sim\Pi(P,Q)}{\mathbb{E}}_{(x,y)\sim\gamma}[d(x,y)], where Π(P,Q)\Pi(P,Q) is the set of joint distributions with marginals PP and QQ.

Finally, for a distribution pp, we let H(p)=i=1npilog(pi)H(p)=-\sum_{i=1}^{n}p_{i}\log(p_{i}) be the entropy of pp. Throughout the paper, all logarithms are in base 2.

Given the breadth of work on point predictions, it is tempting to try and reduce the distributional prediction problem to point predictions. We show that this approach does not lead to good results.

2.1 Point Predictions from Distributions

Given prediction p^\hat{p} of pp, suppose the algorithm first computes some point α^\hat{\alpha} from p^\hat{p} and then uses the doubling binary search algorithm from Mitzenmacher and Vassilvitskii [28] with prediction α^\hat{\alpha}. This will have expected running time of O(log(|α^α|))O(\log(|\hat{\alpha}-\alpha|)), where α\alpha is the true location of the key. A natural question is whether there is some α^\hat{\alpha} so that O(log(|α^α|))O(\log(|\hat{\alpha}-\alpha|)) is comparable to O(H(p)+logη)O(H(p)+\log\eta).

Unfortunately, this is not possible, necessitating our more involved algorithm and analysis. Let pp be the distribution on two atoms, with pn/4=1/2p_{n/4}=1/2 and p3n/4=1/2p_{3n/4}=1/2, and let p^=p\hat{p}=p. Clearly η=0\eta=0, and H(p)=1H(p)=1, so any competitive algorithm must terminate after a constant number of comparisons in expectation. On the other hand, consider some α^[n]\hat{\alpha}\in[n]. If α^n/2\hat{\alpha}\leq n/2, then since α=3n/4\alpha=3n/4 with probability 1/21/2 we have that 𝔼[log(|α^α|)]12log(n/4))=Ω(logn)\mathbb{E}[\log(|\hat{\alpha}-\alpha|)]\geq\frac{1}{2}\log(n/4))=\Omega(\log n). Similarly, if α^n/2\hat{\alpha}\geq n/2, then since α=n/4\alpha=n/4 with probability 1/21/2 we have that 𝔼[log(|α^α|)]Ω(logn)\mathbb{E}[\log(|\hat{\alpha}-\alpha|)]\geq\Omega(\log n). Hence converting p^\hat{p} to a point prediction and then using the algorithm of [28] as a black box is doomed to failure.

3 Algorithm

To develop our robust approach, recall the two baseline algorithms—traditional binary search with an O(logn)O(\log n) running time and the algorithm that recurses on the median element of the distribution, with an O(H(p))O(H(p)) running time (assuming it has access to the true distribution pp).

In our algorithm we interleave these two approaches to get the best of both worlds. Let a{a1,,an}{a\in\{a_{1},\ldots,a_{n}\}} be the target key. We proceed recursively, keeping track of an active search range [,r][\ell,r] (if a=aia=a_{i}, we always have i[,r])i\in[\ell,r]). Initially, we start with =1\ell=1 and r=nr=n. The algorithm proceeds in iterations. Each iteration ii for i=0,1,i=0,1,\ldots has two phases

  • Bisection. Divide the search range in half based on the predicted probabilities p^\hat{p}. Formally, find an index kk, kr\ell\leq k\leq r such that j=k1p^j12S\sum_{j=\ell}^{k-1}\hat{p}_{j}\leq\frac{1}{2}S and j=k+1rp^j12S\sum_{j=k+1}^{r}\hat{p}_{j}\leq\frac{1}{2}S, where S=j=rp^jS=\sum_{j=\ell}^{r}\hat{p}_{j}. Compare aa to aka_{k}. If they are equal, return kk. Otherwise, based on the result of the comparison, continue the search on the ranges [,k1][\ell,k-1] or [k+1,r][k+1,r].

    Continue this process for 2i2^{i} steps, and if aa is not found, begin the second phase.

  • Binary Search at the Endpoints. Let [,r][\ell,r] be the current search range. Set d=min(22i,r)d=\min(2^{2^{i}},r-\ell). Check if aa is in the range [,+d][\ell,\ell+d] or [rd,r][r-d,r] (by comparing aa to a+da_{\ell+d} and arda_{r-d}). If aa is in one of these ranges, say [,+d][\ell,\ell+d], do a regular binary search (by choosing the middle point of the range each time) on the range [,+d][\ell,\ell+d], until aa is found. Otherwise, start the next iteration with the new search range [+d+1,rd1][\ell+d+1,r-d-1].

The algorithm continues until aa is found.

3.1 Analysis

The goal is to show the following theorem with respect to the algorithm.

Theorem 1.

The expected query complexity of the described algorithm is at most 4H(p)+8max(log(η)+2,1)+8=O(H(p)+max(log(η),0))4H(p)+8\max(\log(\eta)+2,1)+8=O(H(p)+\max(\log(\eta),0)).111To account for the case where η[0,1)\eta\in[0,1) where log(η)<0\log(\eta)<0, we impose a bound by taking the maximum of log(η)\log(\eta) and 0.

Before formally proving the theorem, we give key intuition about the analysis. In iteration kk, the Bisection phase is continued for 2k2^{k} steps. In each step, one comparison is made, which makes the cost of this phase 2k2^{k}.

Consider the Binary Search at the Endpoints phase. Two comparisons are made during the phase unless a[,+d]a\in[\ell,\ell+d] or a[rd,r]a\in[r-d,r]. In those cases, we run a traditional binary search on an interval of length d+1d+1, whose cost is logd=log22k=2k\log d=\log 2^{2^{k}}=2^{k}.

For each key aia_{i}, it takes at most log(1pi)+1\log(\frac{1}{p_{i}})+1 iterations of the Bisection phase to get to a search range that has a predicted probability mass of at most pi/2p_{i}/2. We can charge the total cost of the iterations up to this point to the term pilog(1pi)p_{i}\log(\frac{1}{p_{i}}) in H(p)H(p).

Either we find aia_{i} earlier, in which case the total cost of the iterations can be charged to H(p)H(p), or there is an at least pi/2p_{i}/2 mass that was predicted to lie outside the interval, allowing us to lower bound η\eta. We make this argument formal below.

Proof of Theorem 1.

With probability pip_{i}, the target key aa that we are looking for is aia_{i}. The goal is to bound the expected cost of the algorithm, which is i=1npiC(ai)\sum_{i=1}^{n}p_{i}C(a_{i}), where C(ai)C(a_{i}) is the cost of the algorithm when a=aia=a_{i}. Let kik_{i} be the first iteration at which aa is found, assuming a=aia=a_{i}. As mentioned earlier, the total cost of the first phase of the iterations 0 to kik_{i} is j=0ki2j<2ki+1\sum_{j=0}^{k_{i}}2^{j}<2^{k_{i}+1}. Also, the cost of the second phase in each iteration before kik_{i} is 2, and in iteration kik_{i} is at most 2ki2^{k_{i}}. So the total cost of the algorithm for iterations 0 to kik_{i} is at most 32ki+2ki42ki3\cdot 2^{k_{i}}+2k_{i}\leq 4\cdot 2^{k_{i}}. We partition the keys based on kik_{i} into two sets, and bound the cost of each set separately. Let I1:={i:kilog(log(4/pi))}I_{1}:=\{i:k_{i}\leq\log(\log(4/p_{i}))\} and I2:={i:ki>log(log(4/pi))}I_{2}:=\{i:k_{i}>\log(\log(4/p_{i}))\}.

First, we bound the cost of indices in I1I_{1} by a constant factor of H(p)H(p):

iI1piC(ai)4iI1pi2ki4iI1pilog(4/pi)4H(p)+8.\sum_{i\in I_{1}}p_{i}C(a_{i})\leq 4\sum_{i\in I_{1}}p_{i}2^{k_{i}}\leq 4\sum_{i\in I_{1}}p_{i}\log(4/p_{i})\leq 4H(p)+8.

Now we bound the cost of the indices in I2I_{2} by a constant factor of log(η)\log(\eta). Let iI2i\in I_{2}. We know that during iteration jj of searching for aia_{i}, in the Bisection phase, the predicted probability mass in the search range decreases by a factor of at least 22j2^{2^{j}}. Therefore the predicted probability mass in the search range [,r][\ell,r] at the end of the first phase in iteration ki1k_{i}-1 is at most

1j=0ki122j=122ki1=222ki24/pi=pi2,\frac{1}{\prod_{j=0}^{k_{i}-1}2^{2^{j}}}=\frac{1}{2^{2^{k_{i}}-1}}=\frac{2}{2^{2^{k_{i}}}}\leq\frac{2}{4/p_{i}}=\frac{p_{i}}{2},

where the inequality holds because iI2i\in I_{2}. So j=rp^jpi/2\sum_{j=\ell}^{r}\hat{p}_{j}\leq p_{i}/2. Let Di:=min(i,ri)D_{i}:=\min(i-\ell,r-i). In the transportation problem corresponding to the earth mover’s distance between pp and p^\hat{p}, a probability mass of at least pi/2p_{i}/2 needs to be moved from point ii to the outside of the interval [,r][\ell,r]. The cost of this movement in the objective function of the transportation problem is at least Dipi/2D_{i}\cdot p_{i}/2. Therefore we have ηiI2Dipi/2\eta\geq\sum_{i\in I_{2}}D_{i}\cdot p_{i}/2. In the Binary Search at the Endpoints phase of iteration kk, we probe indices within distance d=22kd=2^{2^{k}} around the two endpoints of the search range. Since aia_{i} is not found before iteration kik_{i}, we conclude that 22ki1<Di2^{2^{k_{i}-1}}<D_{i}, which means that 2ki2log(Di)2^{k_{i}}\leq 2\log(D_{i}). Let p(I2):=iI2pip(I_{2}):=\sum_{i\in I_{2}}p_{i}. We have

iI2piC(ai)4iI2pi2ki8iI2pilog(Di)=8(iI2pilog(Di)+(1p(I2))log(1)).\sum_{i\in I_{2}}p_{i}C(a_{i})\leq 4\sum_{i\in I_{2}}p_{i}2^{k_{i}}\leq 8\sum_{i\in I_{2}}p_{i}\log(D_{i})=8\left(\sum_{i\in I_{2}}p_{i}\log(D_{i})+(1-p(I_{2}))\log(1)\right).

By concavity of the log()\log(\cdot) function and Jensen’s inequality we have

8(iI2pilog(Di)+(1p(I2))log(1))8log(iI2piDi+(1p(I2)))8max(log(η)+2,1).8\left(\sum_{i\in I_{2}}p_{i}\log(D_{i})+(1-p(I_{2}))\log(1)\right)\leq 8\log\left(\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\right)\leq 8\max(\log(\eta)+2,1).

The last inequality follows from the fact that if iI2piDi1\sum_{i\in I_{2}}p_{i}D_{i}\leq 1 we have iI2piDi+(1p(I2))2\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\leq 2, and otherwise we have

log(iI2piDi+(1p(I2)))log(iI2piDi)+1log(2η)+1=log(η)+2.\log\left(\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\right)\leq\log\left(\sum_{i\in I_{2}}p_{i}D_{i}\right)+1\leq\log(2\eta)+1=\log(\eta)+2.

3.2 Lower Bound

It is well known that there is a lower bound of Ω(H(p))\Omega(H(p)) on the expected query complexity for binary search [27]. We now show that there is a lower bound of Ω(logη)\Omega(\log\eta) on the expected query complexity as well, even on instances with H(p)=0H(p)=0. This shows that there must fundamentally be a logη\log\eta dependence on the earth mover’s distance, even for instances where it is not absorbed by the dependence on the entropy.

Theorem 2.

For any η[n]\eta\in[n], any comparison-based (deterministic or randomized) algorithm must make Ω(logη)\Omega(\log\eta) queries on some instance where H(p)=0H(p)=0 and the earth mover’s distance between pp and p^\hat{p} is O(η)O(\eta).

Proof.

Thanks to Yao’s principle, it suffices to give a distribution over instances of this problem and argue that any deterministic algorithm has a large expectation over this distribution. Let the set of keys be [n][n]. We present a family of problem instances I1,,IηI_{1},\ldots,I_{\eta}, where each instance can happen with probability 1η\frac{1}{\eta}. In instance IiI_{i}, the true access distribution is a singleton on location ii, i.e., in IiI_{i} we have pi=1p_{i}=1 and pj=0p_{j}=0 for each j[n]\{i}j\in[n]\backslash\{i\}. In all the problem instances I1,,IηI_{1},\ldots,I_{\eta}, the prediction is the uniform distribution over [η][\eta]. Note that for each instance IiI_{i}, we have H(p)=0H(p)=0. Also, the earth mover’s distance between p^\hat{p} and pp is at most η\eta.

Our claim is that any deterministic algorithm has an expected cost of Ω(logη)\Omega(\log\eta) over this distribution. To see this, note that the expected cost of any deterministic algorithm over this distribution of instances exactly equals the cost of that algorithm on an instance II^{*} where the true access distribution is uniform over [η][\eta]. Now by the lower bound of [27], the cost of any deterministic comparison-based algorithm on II^{*} is Ω(H(p))\Omega(H(p^{*})), where pp^{*} is the uniform distribution over [η][\eta]. To conclude the proof, note that H(p)=Ω(logη)H(p^{*})=\Omega(\log\eta). ∎

Combining Theorem 2 with the Ω(H(p))\Omega(H(p)) lower bound due to [27] results in the following worst-case lower bound, asymptotically matching Theorem 1.

Corollary 3.

Any comparison-based algorithm for binary search with distributional predictions has worst-case expected query complexity Ω(H(p)+log(η))\Omega(H(p)+\log(\eta)).

4 A Portfolio of Predictions

In the previous section we showed an algorithm that is optimal given a single distributional prediction. Here we extend this result to the setting where there are mm different distributions given as a prediction. That is, for k{1,2,,m}k\in\{1,2,\ldots,m\}, there are predictions p^k=(p^1,k,,p^n,k)\hat{p}_{k}=(\hat{p}_{1,k},\ldots,\hat{p}_{n,k}) of pp given. Let ηk\eta_{k} be the earth mover’s distance between p^k\hat{p}_{k} and pp. The goal is to design an algorithm competitive with single best distribution p^k\hat{p}_{k}. That is, comparable to mink[m]logηk\min_{k\in[m]}\log\eta_{k} and H(p)H(p).

4.1 Algorithm for Multiple Predictions

We proceed in a similar manner, alternating the two phases. However, we change the algorithm so that in the first phase the algorithm performs a binary search on the medians of each distribution. The goal of this is to ensure that each distribution has its probability mass drop by at least half in each step.

As before, the initial search range is [1,n][1,n]. The algorithm proceeds in iterations. For i=0,1,i=0,1,\ldots, iteration ii has two phases.

  • Bisection. Let [,r][\ell,r] be the current search range. Let Sk=j=rp^j,kS_{k}=\sum_{j=\ell}^{r}\hat{p}_{j,k} be the remaining probability mass in the kk’th prediction.

    Let tkt_{k} be such that j=tk1p^j,k12Sk\sum_{j=\ell}^{t_{k}-1}\hat{p}_{j,k}\leq\frac{1}{2}S_{k} and j=tk+1rp^j,k12Sk\sum_{j=t_{k}+1}^{r}\hat{p}_{j,k}\leq\frac{1}{2}S_{k}. That is, tkt_{k} is the median of the kk’th distribution. Sort the indices k[m]k\in[m] so that t1t2tmt_{1}\leq t_{2}\ldots\leq t_{m}. For convenience, let t0=t_{0}=\ell and tm+1=rt_{m+1}=r. Perform a binary search on at0,at1,at2,atm+1a_{t_{0}},a_{t_{1}},a_{t_{2}},\ldots a_{t_{m+1}} to find the interval where a(atj,atj+1)a\in(a_{t_{j}},a_{t_{j+1}}) for some j{0,1,2,m}j\in\{0,1,2,\ldots m\}. The new search range is [tj+1,tj+11][t_{j}+1,t_{j+1}-1].

    Continue this for 2i2^{i} steps, and if aa is not found, begin the second phase described below.

  • Binary Search at the Endpoints. Let [,r][\ell,r] be the current search range. Set d=min(22i,r)d=\min(2^{2^{i}},r-\ell). Check if aa is in the range [,+d][\ell,\ell+d] or [rd,r][r-d,r] (by comparing aa to a+da_{\ell+d} and arda_{r-d}). If aa is in one of these ranges, say [,+d][\ell,\ell+d], do a regular binary search (by choosing the middle point of the range each time) on the range [,+d][\ell,\ell+d], until aa is found. Otherwise, start the next iteration with the new search range [+d+1,rd1][\ell+d+1,r-d-1].

The algorithm continues until aa is found.

4.2 Analysis for Multiple Predictions

We now state the following theorem regarding the algorithm for multiple predictions. The overhead of using multiple predictions is a logm\log m factor. The proof is very similar to the proof of Theorem 1 and has been deferred to Appendix A.

Theorem 4.

Given mm different distributions, the expected query complexity of the algorithm is log(m)O(H(p)+max(mink[m]logηk,0))\log(m)\cdot O(H(p)+\max(\min_{k\in[m]}\log\eta_{k},0)).

5 Experiments

We now present an empirical evaluation of the proposed algorithms on both synthetic and real datasets. Our goal is to show how predictions can be used to improve the running time of traditional binary search approaches. Since our theoretical results are about query complexity, and to keep the results implementation-independent, our main metric will be the number of comparisons performed by each method. Our implementation can be found at https://github.com/AidinNiaparast/Learned-BST.

We compare the performance of the following algorithms:

  • Classic - The prediction agnostic approach that recursively queries the midpoint of the array.

  • Bisection - The bisection algorithm recursively queries the median of the predicted distribution (when the predicted probability in the search range is 0, this algorithm queries the midpoint of the array). This strategy is nearly optimal when the predicted distribution is correct [27]; however, it is not robust to errors in the predicted distribution.

  • Learned BST - The algorithm described in Section 3. We make one modification, setting the parameter dd larger to broaden the search space in the very early iterations, setting d to min(282i,r)\min(2^{8\cdot 2^{i}},r-\ell).

  • Convex Combination - This is a heuristic approach to make the Bisection algorithm more robust. Given a prediction p^\hat{p} we generate a new distribution, q=λp^+(1λ)uq=\lambda\hat{p}+(1-\lambda)u, where uu is the uniform distribution on [n][n]. We then run the Bisection algorithm on qq. In our experiments, λ=0.5\lambda=0.5 is used.

5.1 Synthetic Data Experiments

We begin with experiments on synthetic data where we can vary the prediction error in a controlled environment to show the algorithms sensitivity and robustness to mispredictions.

In this setting, let the keyspace be the integers in [105,105][-10^{5},10^{5}]. We then generate t=104t=10^{4} independent points from a normal distribution with mean 0 and standard deviation 1010, rounding down each to the nearest integer. This results in a concentrated distribution in a very large key space. The tt points form the predicted distribution, p^\hat{p}. To generate the test distribution, we proceed in the same manner, but shift the mean of the normal distribution away from 0 by some value s>0s>0. Note that for s=100s=100 the train and test distributions have 0 overlap with high probability. For each value of ss, we repeat the experiment 55 times and report the average and standard deviation of the costs.

Refer to caption
Figure 1: Results for synthetic data experiments. The y-axis measures the average cost (query complexity) of each algorithm and the x-axis measures the amount of shift in the test distribution. The training and test data are regenerated 5 times. The solid lines are the mean and the clouds around them are the standard deviation of these experiments.

Our results for this setting can be found in Fig. 1, where we plot the average search cost (query complexity) of each algorithm against the shift amount for the test distribution. At one extreme, where there is no shift in the test distribution, we observe that all three algorithms which utilize the predicted distribution perform well. Since the bisection algorithm is optimal when the error is 0, it performs the best, as expected, while the Learned BST approach exhibits some overhead due to hedging against possible errors. However, a perturbation to the predicted distribution causes the bisection algorithm to perform worse than classical binary search. Both the convex combination and learned BST algorithms demonstrate a smoother degradation in performance, with our proposed method (learned BST) giving more robust performance to even large shifts in the test distribution. When the erorr becomes very high, then the additional overhead of the learned BST algorithm makes it slightly worse than the Classic baseline.

5.2 Real Data Experiments

Dataset Description.

In order to test our approach on real-world data, we use temporal networks from Stanford Large Network Dataset Collection222https://snap.stanford.edu/data/index.html. These datasets represent the interactions on stack exchange websites StackOverflow, AskUbuntu, and SuperUser [29]. In all cases, we use the answers-to-questions dataset, which contains entries of the form (u,v,t)(u,v,t), which represents user uu answering user vv’s question at time tt. In this interaction, uu is the source and vv is the target user. Our data sequences consist of the source users from each interaction sorted in increasing order of timestamp, and we restrict the dataset to the first one million entries.

Keys, Predictions, and Test Data.

For each data sequence, the set of elements in the first 10% of the sequence is used as the set of keys of the binary search trees. Let AA be the remaining 90% of the sequence and let a1<a2<<ana_{1}<a_{2}<\ldots<a_{n} be the set of keys. For each element xAx\in A, if aix<ai+1a_{i}\leq x<a_{i+1}, we replace xx by aia_{i}. For t=5,10,,50t=5,10,\ldots,50, we use the first tt percent of AA as training data and the rest as test data. The training and test data are used to obtain the predictions (p^\hat{p}) and actual access distribution (pp), respectively. To obtain these distributions we use the normalized frequencies of each key in the training and test data.

For completeness, we show the distributions of the keys when t=50t=50 both for the training set and the test set in Figure 2.

Refer to caption
(a) AskUbuntu
Refer to caption
(b) SuperUser
Refer to caption
(c) StackOverflow
Figure 2: The train and test distributions when t=50t=50 for the three datasets.
Refer to caption
(a) AskUbuntu
Refer to caption
(b) SuperUser
Refer to caption
(c) StackOverflow
Figure 3: Results for real data experiments. The y-axis measures the average cost of each algorithm and the x-axis indicates the fraction of the dataset used for training
Refer to caption
(a) AskUbuntu
Refer to caption
(b) SuperUser
Refer to caption
(c) StackOverflow
Figure 4: Results for real data experiments. The y-axis measures the average cost of each algorithm and the x-axis indicates the logarithm of the earth mover’s distance between p^\hat{p} and pp.

We present the results on these experiments in Figures 3 and 4. In Figure 3 we plot the average cost of the algorithms against the size of the training data. As we expect, as the size of the training data increases, the performance of all distribution-dependent algorithms get better, as the distribution error decreases. We make this more precise in Figure 4 where we plot the average cost against log of the EMD error.

We note a few observations. The learning agnostic, Classic, is suboptimal in all but a handful of cases, showing that there is value in using the distribution of the data to improve performance. Second, we validate the theory, showing that the learned BST’s performance degrades smoothly as logη\log\eta increases. Third, the convex combination heuristic is not very effective on real world data, giving only marginal improvements over the bisection method.

Finally, on both AskUbuntu and SuperUser datasets, the learned BST approach performs significantly better than all of the baselines, saving 20-25% comparisons on average. Unlike the Bisection algorithm it is also never worse than the Classic baseline. On the StackOverflow dataset our approach is about 10% worse than bisection method, owing to the distribution being less concentrated around the median. In these cases, the overhead of learned BST is apparent, given that the second phase is unlikely to be fruitful in the first few iterations.

Overall, these results show that the Learned BST method is robust against errors, and performs well against other approaches. Further improving the constant factors so that the learned approach has strong worst-case guarantees and performs well against other learned approaches remains a challenging open problem.

6 Conclusion

There has been a growing line of work showing how to improve optimization algorithms using machine learned predictions. Predominately, prior work has leveraged non-probabilistic predictions, despite the fact that most ML systems, such as neural networks, output a distribution.

This work introduces a model where the prediction is a distribution. We show that algorithms can perform better by taking full advantage of the distributional nature of the prediction, and that reduction to a point prediction is insufficient to provide competitive algorithms.

Given the breadth of work in the Algorithms with Predictions area [28], there is a wide variety of open questions concerning how to adapt algorithms to the setting of distributional predictions.

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Appendix A Omitted Proofs

Proof of Theorem 4.

With probability pip_{i}, the key aa that we are looking for is aia_{i}. The goal is to bound the expected cost of the algorithm, which is i=1npiC(ai)\sum_{i=1}^{n}p_{i}C(a_{i}), where C(ai)C(a_{i}) is the cost of the algorithm when a=aia=a_{i}. In each step of the Bisection phase, a binary search is done on the medians of the predicted probability distributions on the current search range. When the binary search is done, for each prediction kk, the median tkt_{k} of the prediction falls outside of the new search range. This means that the probability mass of p^k\hat{p}_{k} on the new search range has dropped by at least a factor of 2 compared to the initial search range before the binary search. Let k=argmink[m]ηkk^{*}=\operatorname*{arg\,min}_{k\in[m]}\eta_{k}. From the above discussion, the probability mass of p^k\hat{p}_{k^{*}} in the search range drops by a factor of at least 22 in each step of the Bisection phase, which results in a total drop of at least 22j2^{2^{j}} in iteration jj of the algorithm. The cost of each Bisection step is logm\log m, which makes the total cost of the Bisection phase in iteration jj equal to (logm)2j(\log m)\cdot 2^{j}. Let TiT_{i} be the first iteration at which aa is found, assuming a=aia=a_{i}. The total cost of the first phase of the iterations 0 to TiT_{i} is (logm)j=0Ti2j<(logm)2Ti+1(\log m)\sum_{j=0}^{T_{i}}2^{j}<(\log m)\cdot 2^{T_{i}+1}. Also, the cost of the second phase in each iteration before TiT_{i} is 2, and in iteration TiT_{i} is at most 2Ti2^{T_{i}}. So the total cost of the algorithm for iterations 0 to TiT_{i} is at most (logm)2Ti+1+2Ti+2Ti=O((logm)2Ti)(\log m)\cdot 2^{T_{i}+1}+2^{T_{i}}+2T_{i}=O((\log m)\cdot 2^{T_{i}}). We partition the keys based on TiT_{i} into two sets, and bound the cost of each set separately. Let I1:={i:Tilog(log(4/pi))}I_{1}:=\{i:T_{i}\leq\log(\log(4/p_{i}))\} and I2:={i:Ti>log(log(4/pi))}I_{2}:=\{i:T_{i}>\log(\log(4/p_{i}))\}.

First, we bound the cost of indices in I1I_{1} by (logm)O(H(p))(\log m)\cdot O(H(p)):

iI1piC(ai)=O(iI1pi((logm)2Ti))=(logm)O(iI1pilog(4/pi))=(logm)O(H(p)).\sum_{i\in I_{1}}p_{i}C(a_{i})=O\left(\sum_{i\in I_{1}}p_{i}\left((\log m)\cdot 2^{T_{i}}\right)\right)=(\log m)\cdot O(\sum_{i\in I_{1}}p_{i}\log(4/p_{i}))=(\log m)\cdot O(H(p)).

Now we bound the cost of the indices in I2I_{2} by (logm)O(max(log(ηk),1))(\log m)\cdot O\left(\max(\log(\eta_{k^{*}}),1)\right). Let iI2i\in I_{2}. We know that during iteration jj of searching for aia_{i}, in the Bisection phase, the predicted probability mass p^k\hat{p}_{k^{*}} in the search range decreases by a factor of at least 22j2^{2^{j}}. Therefore the predicted probability mass p^k\hat{p}_{k^{*}} in the search range [,r][\ell,r] at the end of the first phase in iteration Ti1T_{i}-1 is at most

1j=0Ti122j=122Ti1=222Ti24/pi=pi2,\frac{1}{\prod_{j=0}^{T_{i}-1}2^{2^{j}}}=\frac{1}{2^{2^{T_{i}}-1}}=\frac{2}{2^{2^{T_{i}}}}\leq\frac{2}{4/p_{i}}=\frac{p_{i}}{2},

where the inequality holds because iI2i\in I_{2}. So j=rp^j,kpi/2\sum_{j=\ell}^{r}\hat{p}_{j,k^{*}}\leq p_{i}/2. Let Di:=min(i,ri)D_{i}:=\min(i-\ell,r-i). In the transportation problem corresponding to the earth mover’s distance between pp and p^k\hat{p}_{k^{*}}, a probability mass of at least pi/2p_{i}/2 needs to be moved from point ii to the outside of the interval [,r][\ell,r]. The cost of this movement in the objective function of the transportation problem is at least Dipi/2D_{i}\cdot p_{i}/2. Therefore we have ηkiI2Dipi/2\eta_{k^{*}}\geq\sum_{i\in I_{2}}D_{i}\cdot p_{i}/2. In the Binary Search at the Endpoints phase of iteration jj, we probe indices distance of d=22jd=2^{2^{j}} around the two endpoints of the search range. Since aia_{i} is not found before iteration TiT_{i}, we conclude that 22Ti1<Di2^{2^{T_{i}-1}}<D_{i}, which means that 2Ti2log(Di)2^{T_{i}}\leq 2\log(D_{i}). Let p(I2):=iI2pip(I_{2}):=\sum_{i\in I_{2}}p_{i}. We have

iI2piC(ai)\displaystyle\sum_{i\in I_{2}}p_{i}C(a_{i}) (logm)O(iI2pi2Ti)\displaystyle\leq(\log m)\cdot O\left(\sum_{i\in I_{2}}p_{i}2^{T_{i}}\right) (1)
(logm)O(iI2pilog(Di))\displaystyle\leq(\log m)\cdot O\left(\sum_{i\in I_{2}}p_{i}\log(D_{i})\right) (2)
(logm)O(iI2pilog(Di)+(1p(I2))log(1))\displaystyle\leq(\log m)\cdot O\left(\sum_{i\in I_{2}}p_{i}\log(D_{i})+(1-p(I_{2}))\log(1)\right) (3)
(logm)O(log(iI2piDi+(1p(I2))))\displaystyle\leq(\log m)\cdot O\left(\log\left(\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\right)\right) (4)
(logm)O(max(log(ηk),1)),\displaystyle\leq(\log m)\cdot O\left(\max(\log(\eta_{k^{*}}),1)\right), (5)

where inequality (4) results from concavity of log()\log(\cdot) function and Jensen’s inequality, and inequality (5) is because of the following

  • If iI2piDi1\sum_{i\in I_{2}}p_{i}D_{i}\leq 1 then we have

    log(iI2piDi+(1p(I2)))log(2)=1\log\left(\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\right)\leq\log(2)=1
  • If iI2piDi>1\sum_{i\in I_{2}}p_{i}D_{i}>1 then we have

    log(iI2piDi+(1p(I2)))log(iI2piDi)+1=O(log(ηk)).\log\left(\sum_{i\in I_{2}}p_{i}D_{i}+(1-p(I_{2}))\right)\leq\log\left(\sum_{i\in I_{2}}p_{i}D_{i}\right)+1=O(\log(\eta_{k^{*}})).

Appendix B Experimental Setup

We use Python 3.10 for conducting our experiments on a system equipped with an 11th Generation Intel Core i7 CPU running at 2.80GHz, 32GB of RAM, a 128GB NVMe KIOXIA disk drive, and a 64-bit Windows 10 Enterprise operating system. It’s worth noting that the cost of the algorithms, i.e., the expected query complexity, is hardware-independent.