Heiko Röglin

Jan Eube, Kelin Luo, Aneta Neumann et al.

The Traveling Thief Problem (TTP) is a multi-component optimization problem that captures the interplay between routing and packing decisions by combining the classical Traveling Salesperson Problem (TSP) and the Knapsack Problem (KP). The TTP has gained significant attention in the evolutionary computation literature and a wide range of approaches have been developed over the last 10 years. Judging the performance of these algorithms in particular in terms of how close the get to optimal solutions is a very challenging task as effective exact methods are not available due to the highly challenging traveling component. In this paper, we study the tour-optimization component of TTP under a fixed packing plan. We formulate this task as a weighted variant of the TSP, where travel costs depend on the cumulative weight of collected items, and investigate how different distance metrics and cost functions affect computational complexity. We present an $(O(n^2))$-time dynamic programming algorithm for the path metric with general cost functions, prove that the problem is NP-hard even on a star metric, and develop constant-factor approximation algorithms for star metrics. Finally, we also develop an approximation algorithm for the problem under a general metric with a linear cost function. We complement our theoretical results with experimental evaluations on standard TTP instances adjusted to a path metric. Our experimental results demonstrate the practical effectiveness of our approaches by comparing it to solutions produced by popular iterative search algorithms. The results show that our methods are able to significantly improve the quality of solutions for some benchmark instances by optimizing the traveling part while pointing out the optimality of the travel component for other solutions obtained by iterative search methods.

Jan Eube, Kelin Luo, Heiko Röglin et al.

The Traveling Thief Problem (TTP) combines the Traveling Salesperson Problem with the Knapsack Problem. In this problem, a finite metric space is given, and at each location an item with some profit and weight is placed. An agent seeks to collect a subset of the items. To do so, the agent must decide which items to collect and to determine a cyclic tour visiting the corresponding locations. While collecting an item yields its profit as a reward, the agent's speed decreases as more weight is picked up. The problem involves two competing objectives: maximizing the total profit of the collected items and minimizing the travel time of the tour. While many heuristics and exact algorithms (with a non-polynomial running time) have been developed, no approximation algorithms are known for any variant of the TTP. We aim at computing an $(α_1,α_2)$-approximate Pareto set that, for every solution, contains another solution collecting at least a $\frac{1}{α_1}$ fraction of its profit while requiring at most $α_2$ times its travel time. Our main result is an algorithm that calculates a $(9 + ε,9 + ε)$-approximate Pareto set in polynomial time. We also consider the setting in which the set of items to be collected is given in advance, so that the agent only has to compute a tour through the corresponding locations that minimizes the total travel time. This is the so-called Weighted TSP. For this setting, we present a $(2e + ε)$-approximation algorithm.

Henri Nikoleit, Ankit Anand, Anurag Murty Naredla et al.

We demonstrate the power of human-LLM collaboration in tackling open problems in theoretical computer science. Focusing on combinatorial optimization, we refine outputs from the FunSearch algorithm [Romera-Paredes et al., Nature 2023] to derive state-of-the-art lower bounds for standard heuristics. Specifically, we target the generation of adversarial instances where these heuristics perform poorly. By iterating on FunSearch's outputs, we identify improved constructions for hierarchical $k$-median clustering, bin packing, the knapsack problem, and a generalization of Lovász's gasoline problem - some of these have not seen much improvement for over a decade, despite intermittent attention. These results illustrate how expert oversight can effectively extrapolate algorithmic insights from LLM-based evolutionary methods to break long-standing barriers. Our findings demonstrate that while LLMs provide critical initial patterns, human expertise is essential for transforming these patterns into mathematically rigorous and insightful constructions. This work highlights that LLMs are a strong collaborative tool in mathematics and computer science research.

Anup Bhattacharya, Jan Eube, Heiko Röglin et al.

The k-means++ algorithm due to Arthur and Vassilvitskii has become the most popular seeding method for Lloyd's algorithm. It samples the first center uniformly at random from the data set and the other $k-1$ centers iteratively according to $D^2$-sampling where the probability that a data point becomes the next center is proportional to its squared distance to the closest center chosen so far. k-means++ is known to achieve an approximation factor of $O(\log k)$ in expectation. Already in the original paper on k-means++, Arthur and Vassilvitskii suggested a variation called greedy k-means++ algorithm in which in each iteration multiple possible centers are sampled according to $D^2$-sampling and only the one that decreases the objective the most is chosen as a center for that iteration. It is stated as an open question whether this also leads to an $O(\log k)$-approximation (or even better). We show that this is not the case by presenting a family of instances on which greedy k-means++ yields only an $Ω(\ell\cdot \log k)$-approximation in expectation where $\ell$ is the number of possible centers that are sampled in each iteration. We also study a variation, which we call noisy k-means++ algorithm. In this variation only one center is sampled in every iteration but not exactly by $D^2$-sampling anymore. Instead in each iteration an adversary is allowed to change the probabilities arising from $D^2$-sampling individually for each point by a factor between $1-ε_1$ and $1+ε_2$ for parameters $ε_1 \in [0,1)$ and $ε_2 \ge 0$. We prove that noisy k-means++ compute an $O(\log^2 k)$-approximation in expectation. We also discuss some applications of this result.

Anna Großwendt, Heiko Röglin, Melanie Schmidt

We study Ward's method for the hierarchical $k$-means problem. This popular greedy heuristic is based on the \emph{complete linkage} paradigm: Starting with all data points as singleton clusters, it successively merges two clusters to form a clustering with one cluster less. The pair of clusters is chosen to (locally) minimize the $k$-means cost of the clustering in the next step. Complete linkage algorithms are very popular for hierarchical clustering problems, yet their theoretical properties have been studied relatively little. For the Euclidean $k$-center problem, Ackermann et al. show that the $k$-clustering in the hierarchy computed by complete linkage has a worst-case approximation ratio of $Θ(\log k)$. If the data lies in $\mathbb{R}^d$ for constant dimension $d$, the guarantee improves to $\mathcal{O}(1)$, but the $\mathcal{O}$-notation hides a linear dependence on $d$. Complete linkage for $k$-median or $k$-means has not been analyzed so far. In this paper, we show that Ward's method computes a $2$-approximation with respect to the $k$-means objective function if the optimal $k$-clustering is well separated. If additionally the optimal clustering also satisfies a balance condition, then Ward's method fully recovers the optimum solution. These results hold in arbitrary dimension. We accompany our positive results with a lower bound of $Ω((3/2)^d)$ for data sets in $\mathbb{R}^d$ that holds if no separation is guaranteed, and with lower bounds when the guaranteed separation is not sufficiently strong. Finally, we show that Ward produces an $\mathcal{O}(1)$-approximative clustering for one-dimensional data sets.

Konstantin Voevodski, Maria-Florina Balcan, Heiko Roglin et al.

Given a point set S and an unknown metric d on S, we study the problem of efficiently partitioning S into k clusters while querying few distances between the points. In our model we assume that we have access to one versus all queries that given a point s 2 S return the distances between s and all other points. We show that given a natural assumption about the structure of the instance, we can efficiently find an accurate clustering using only O(k) distance queries. We use our algorithm to cluster proteins by sequence similarity. This setting nicely fits our model because we can use a fast sequence database search program to query a sequence against an entire dataset. We conduct an empirical study that shows that even though we query a small fraction of the distances between the points, we produce clusterings that are close to a desired clustering given by manual classification.