https://doi.org/10.31449/inf.v45i2.3107 Informatica 45 (2021) 197–204 197 Estimating Clique Size via Discarding Subgraphs Sándor Szabó University of Pécs, Hungary E-mail: sszabo7@hotmail.com Bogdán Zaválnij Rényi Institute of Mathematics E-mail: bogdan@renyi.hu Keywords: combinatorial optimization, maximum clique problem, greedy coloring, Lovász’ theta function, practical solutions of NP-hard problems Received: April 1, 2020 The paper will present a method to establish an upper bound on the clique number of a given finite simple graph. In order to evaluate the performance of the proposed algorithm in practice we carry out a large scale numerical experiment on carefully selected benchmark instances. Povzetek: Razvita in opisana je nova metoda za doloˇ canje zgornje meje števila klik v grafu. 1 Introduction In this paper we will work with finite simple graphs. A graph is finite if it has finitely many nodes and finitely many edges. A graph is simple if it does not have double edges and if it does not have loops. IfV is the set of nodes and E is the set of edges of a finite simple graph G, then the ordered pair (V;E) completely describes the graphG. A set of nodesI of the finite simple graphG = (V;E) is called an independent set if two distinct nodes inI are never adjacent. A set of nodes U of G is called a clique if two distinct nodes inU are always adjacent. Sometimes the subgraph induced by U in G is called a clique of G. If the clique has k nodes, then we say that is a k-clique inG. The numberk is sometimes referred as the size of the clique. Ak-clique inG is called a maximal clique ifG does not have any (k + 1)-clique that contains as a subgraph. Ak-clique inG is called a maximum clique ifG does not contain any clique with size larger than k. This well defined integerk is called the clique number of the graph G and it is denoted by !(G). Plainly each maximum clique inG has the same size which is equal to !(G). Finding both maximal and maximum cliques in a given graph has important and interesting theoretical and practical applications. (For further details consult with [2, 5, 12, 23, 24].) It is a well known result of the complexity theory of com- putations that the problem of determining the clique num- ber of a given finite simple graph belongs to the NP-hard complexity class. (For a proof see [9, 17].) This can be in- terpreted such that computing the clique number of a given graph is computationally demanding. From this reason in- stead of determining the clique number exactly sometimes we settle for finding a large but not necessarily maximum clique. In this sense we distinguish exact and non-exact clique search algorithms. The non-exact algorithms are fur- ther categorized as local search or stochastic or heuristic algorithm depending on the nature of the search technique involved. An example of the exact algorithm can be found in [22] and an example of the non-exact method can be seen in [13]. A strong upper bound can be used as a quality certificate to prove that a heuristically found clique is close enough to a maximum clique. The main result of this paper is a procedure to establish an upper bound for the clique number of a given graph. The procedure employs legal coloring of the nodes of tactically chosen subgraphs of the given graph. Although the col- oring schemes we use are complex the approach is essen- tially combinatorial. As a consequence it does not involve floating point arithmetic and free of rounding errors. It is known that the Lovász’ theta function can be used to com- pute upper bounds for the clique number of a given graph. This estimate in practice boils down to solve semidefinite programs which is inherently a floating point computation. We were interested in how the elementary combinatorial and the less elementary techniques compares. In the lack of adequate theoretical tools we carried out a large scale numerical experiment on carefully selected problems. 2 Bounding the clique number Let G be a finite simple graph and let b a fixed positive integer. We color the nodes of the graph G such that the following two conditions hold. 1. Each node ofG receives exactlyb distinct colors. 2. Two adjacent nodes never receive the same color. 198 Informatica 45 (2021) 197–204 S. Szabó et al. A coloring of the nodes of G satisfying these conditions is called a b-fold legal coloring of the nodes of G. For each finite simple graph G there is an integer k such that the nodes ofG can be legally colored withk colors in ab- fold manner but the nodes ofG do not admit a legalb-fold coloring using (k 1) colors. This well defined number k is referred as theb-fold chromatic number ofG and it is denoted by b (G). In the b = 1 particular case we drop the subscriptb and use the notation (G). We refer to this number as the chromatic number ofG. Coloring the nodes of a graph is an important problem with many applications and with a venerable history. (See [10].) At a legal coloring of the nodes ofG the nodes of ak- clique inG must receivek distinct colors and consequently !(G) (G). In other words, legal coloring of the nodes can be used to establish upper bound for the clique number. It is known from the complexity theory of computations that determining the chromatic number of a given graph is an NP-hard problem. A number of greedy coloring al- gorithms is available to construct a legal coloring of the nodes but not necessarily with an optimal number of col- ors. (See for instance [6, 14, 7].) Many clique search al- gorithms used in practice employs these greedy algorithms for upper bounding the clique size. In this paper we will show that with some extra effort one may improve on the above upper estimates. We have carried out a number of computations in which approxi- mate node coloring procedures were used. But a little con- templation can convince the reader that the computational scheme we use in fact can be combined with less elemen- tary clique size estimates without major difficulty. LetI(G) denote the set of all independent sets of nodes of a graphG, and letI(G;u) denote the independent sets ofG that contain the nodeu. For each independent setI, we define a nonnegative real variable x I . The fractional chromatic number ofG, which is denoted by f (G) is the minimum value of P I2I(G) x I , subject to P I2I(G;u) x I 1 for each nodeu. This value provides an upper estimate of the clique number ofG. (See [1].) A connection between the fractional and theb-fold chro- matic numbers is the following f (G) = lim b!1 b (G) b . Therefore in practice one can useb-fold coloring [19] as an approximation. Lemma 1. !(G) b (G) b (G). Proof. At anyb-fold coloring of the nodes ofG the nodes of ak-clique inG must receiveb k distinct colors. Thus b (G) must be at leastb k. For any positive integer b and a legal node coloring of the graph with (G) colors one can construct a legal b- fold coloring with b (G) colors. For this replace each color with a list ofb different colors on each node. From the conditions of legal node coloring and b-fold coloring this will yield to a properb-fold coloring. Thus b (G) b (G). Computing the b-fold chromatic number is an NP-hard problem, as for b = 1 case it reduces to the problem of computing the chromatic number. So one looks for heuris- tic algorithms in case of large graphs. The b-fold color- ing of a graph can be reduced to a legal coloring of a suit- able auxiliary graph as described in [19, 21], so any heuris- tic algorithm for legal coloring of the nodes can be easily adopted for finding ab-fold coloring as well. We may use other upper bounding techniques. For each finite simple graphG there is a well defined graph param- eter#(G), which is called the Lovász’ theta number [15]. The Lovász’ theta number of the complement of a graph G also bounds the clique number of G from above. The values of the # function can be computed in polynomial time [3, 4], but the degree of the polynomial bound of the running time is high. The bounds on the clique number we have listed so far are the following [8]: !(G) #(G) f (G) b (G) b (G): 3 The description of the algorithm Letv 1 ;:::;v n be all the nodes ofG = (V;E). For each nodev i ofG we define a graphK i ofG. Namely, letK i be the subgraph ofG induced by the set of nodesN(v i ). Here N(v i ) is the set of neighbors ofv i inG, that is, N(v i ) =fv :v2V;fv i ;vg2Eg: For eachi, 1 i n we compute an upper bound i for !(K i ). For example using a greedy coloring algorithm we color the nodes ofK i legally and set i to be the number of colors the algorithm provided. Obviously one can use another upper bound as well. Using the given graphG we define a sequence of numbers 1 ;:::; n . We pick a graph K i with a minimum i . We set n = i . Next we delete the nodev i fromG. We repeat the whole procedure with this smaller graph and get a new quantity n 1 . When all nodes ofG are deleted the computation terminates. At this stage we have a sequence 1 ;:::; n . Theorem 1. Using the notation introduced above the in- equality !(G) 1 + maxf 1 ;:::; n g holds. In the remaining part of this section we justify this claim. Let u 1 ;:::;u n be a fixed rearrangement of the nodes v 1 ;:::;v n . We consider the subgraphL i ofG induced by the set of nodesN(u i )\fu 1 ;:::;u i g for eachi, 1 i n. Note thatu i 62N(u i ) and so N(u i )\fu 1 ;:::;u i g =N(u i )\fu 1 ;:::;u i 1 g: In thei = 1 special case we should identifyfu 1 ;:::;u i 1 g with the empty set. ThusL 1 is a graph without any node. In this situation we set!(L 1 ) to be 0. We will need the following result. Estimating Clique Size via Discarding Subgraphs Informatica 45 (2021) 197–204 199 Lemma 2. Using the notations introduced above the in- equality !(G) 1 + maxf!(L 1 );:::;!(L n )g holds. Proof. Set k = !(G). Clearly, the graph G contains a k-clique . On the fixed list u 1 ;:::;u n of the nodes v 1 ;:::;v n there is a unique u i such that u i is a node of butu j is not a node of for eachj,ir are colored yellow or green. We distinguish two cases: Case (g>r). In this situation all nodesw i ;i>g are col- ored yellow, as the last red node appears before the green node. Let us denote the nodes of the graph we get after deleting all nodesw i , i > g fromG byV g . As the set of deleted nodes is a subset of the set of all yellow nodes, the graph induced byV y is a subgraph of the graph induced by V g . But the upper estimate for the graph induced by N(w g )\V g is assumed to be less than the upper estimate for the graph induced by N(w g )\V y . This contradicts the monotonicity property of the auxiliary procedure. Case (r>g). In this situation all nodesw i ,i>r are col- ored yellow, as w r is the last red node and the only green one precedes it. Let us denote the nodes of the graph we get after deleting all nodesw i ,i > r from G byV r . As the set of deleted nodes is a subset of the set of all yellow nodes, the graph induced byV y is a subgraph of the graph induced byV r . But the upper estimate for the graph induced byN(w r )\V r is as- sumed to be less than the upper estimate for the graph induced byN(w r )\V y . This contradicts the mono- tonicity property of the auxiliary procedure. 5 Numerical experiments We selected altogether 43 graphs for carrying out our ex- tended measurements. As we were aiming at problems where it is hard to calculate the !(G), we used sources of graphs according to this, and decided to use graphs hav- ing at least 500 nodes. We used those graphs from these sources for which either the Lovász’ theta program or our algorithm could finish the calculation of the upper bound in 100 000 seconds using the available 48GB of memory. The first 29 graphs 1 come from the problems of the 2nd DI- MACS Challenge [11]. The second 11 graphs 2 come from various error correcting code problems [18]. (Note, that we used complement graphs of those from the webpage, as the original problem asks for the maximum independent set.) The last 3 graphs 3 are reformulated problems of mono- tonic matrices [20, 16]. We choose these graphs so that they would represent extremely hard clique search prob- lems and for some we even do not know the value of the size of the maximum clique as the available clique search programs are not able to find the exact!(G) value. There are a few ones where the exact value of the clique number is known but the existing clique solvers are not able to com- pute them. The so-called Johnson codes give rise to such clique problems. As the proposed algorithm instructs us to use an arbitrary upper bound for calculating the values we need to choose one method as a starting point. We have chosen theb-fold coloring with Culberson’s iterated recoloring scheme be- cause it gives the best result in reasonable time of couple of seconds. This way we were using several hours of com- putational time and hoped to achieve improvements over the original upper bound ofb-fold coloring. Ab-fold legal coloring of the nodes of a given graph can be reduced to legally coloring the nodes of an auxiliary graph described in [21]. In the course of our numerical experiments we per- formed several measurements to establish and compare dif- ferent upper bounds. We collected the results in the Table 1. Namely, we did the following measurements: 1. perform a legal coloring of the graph (column: “legal coloring”); 2. find the Lovász’ theta value of the complement graph (column: “#(G)”); 3. perform a b-fold coloring of the graph (column: “b- fold coloring”); 4. useb-fold coloring as a base and perform the proposed algorithm (column: “DISC”). All coloring programs started with a DSatur algorithm due to D. Brélaz [6]. Then we recolored the nodes several 1 http://iridia.ulb.ac.be/~fmascia/maximum_ clique/DIMACS-benchmark 2 https://oeis.org/A265032/a265032.html 3 http://mathworld.wolfram.com/MonotonicMatrix. html Estimating Clique Size via Discarding Subgraphs Informatica 45 (2021) 197–204 201 times using a method due to J. C. Culberson [7]. The stop- ping criteria was if the number of colors did not changed after a specified number of iterations. For smaller and medium graphs we used 1000 iterations; for bigger graphs (over 3000 nodes) we used 500 iterations. We used 7-fold coloring for smaller graphs (up to 2000 nodes); 5-fold col- oring for medium graphs (over 2000 nodes); and 3-fold coloring for the biggest graphs (over 3000 nodes). The Lovász’ theta function was computed with the program of B. Borchers [3, 4]. The measurements were performed on a computer with two Intel Xeon X5680 3.33 GHz proces- sors – all together 12 cores – and 48GB of RAM. (This computer happens to be a node of a supercomputer, but this is of no importance for the present paper.) The legal coloring andb-fold coloring of the graphs were performed in sequential manner. The Lovász’ theta calculations used all 12 cores due to the underlying BLAS implementation. Our DISCARDING algorithm used also 12 cores as it per- formed the calculation of i values independently. Note, that for BLAS the 12 core is a limit as it needs to be run in shared memory environment, while our algorithm could have used more cores in distributed parallelization on a su- percomputer but for the sake of comparability we limited it to the same 12 cores. The running times for legal coloring were smaller than a second or in the range of a few seconds. The time for performing the b-fold coloring depends on the size of the graph and the value ofb. The running times forb-fold col- oring algorithm was in the range of several seconds up to a few minutes. The running times of the Borchers’ pro- gram on 12 cores for calculating the Lovász’ theta of the complement graph is indicated in the column “time (sec) #(G) (12c)”. The running times of our parallel algorithm using the same 12 cores is indicated in the column “time (sec) DISC (12c)”. Those values that cannot be calculated on the used test hardware we indicated in the table with “> 24h”, as the 100 000 seconds limit is roughly 24 hours. 6 Evaluation of the proposed algorithm From the results in the Table 1 we may conclude that the proposed algorithm is feasible, that is, it can be computed on a nowadays computer in reasonable time. But in this section we are making also a comparison between our al- gorithm based on theb-fold coloring and the Lovász’ theta upper bound calculation. We should point out, that this comparison is far from trivial: 1. We needed to parallelize our program and use the same number of cores by both programs. Note, that Borchers’ program uses shared memory, so we could not use more cores than cores in one node of a super- computer. On the other hand our program could be written to use a distributed supercomputer with hun- dreds of cores. 2. As our program, which uses b-fold coloring, using only integer and bit calculation the different architec- tures are not affecting the running times much. Op- posed to this Borchers’ program uses floating point calculations and BLAS. Thus different architectures (Intel or AMD), different compilers (icc or gcc) and different implementations of BLAS (Reference BLAS, ATLAS, OpenBLAS or Intel MKL library) all have huge effect on the running times. A modern AMD desktop PC with 8 core Ryzen processor us- ing gcc as a compiler and OpenBLAS resulted in up to 50 times(!) slower running times compared to the times presented in Table 1 for the Lovász’ theta cal- culations on Intel architecture, icc compiler and the MKL library. The architecture, compiler and BLAS implementation used for the results of the present pa- per all strongly favor the Lovász’ theta calculations. A reproduction of the results on a desktop PC may result much longer running times for the Lovász’ theta cal- culation program due to Borchers while giving similar times for our algorithm. The reader can see that the computation of the Lovász’ theta number for 22 of 43 instances could not be completed. In each of these 22 cases the program terminated with the error message: “not enough memory”. As it turns out the length of the calculation of the Lovász’ theta function de- pends on the number of edges (m) of the complement graph (or the non-edges, the missing edges of the graph). The running time and memory requirements are O m 3 and O m 2 , respectively. (See [3, 4].) Using these asymptotic results we estimated the running time as 7:2 10 11 m 3 sec- onds and the memory requirement as 9:2 10 9 m 2 Giga- Bytes. This estimate was consistent with the experimen- tal results. Clearly 48GB of memory is not enough in the missing cases. Actually, some instances, as for example thekeller6 graph, would need 1 TB(!) of memory and would run for nearly a thousand of years. If one would use a PC with nowadays usual 8-16GB of memory 6 other in- stances would be out of reach, thus making 28 out of 43 instances incalculable. To sum up the results, we can say, that our algorithm gives better upper bounds than the Lovász’ theta calcu- lation for 24 out of 43 instances. In addition it runs faster for 24 out of 43 instances. It holds for the cases when the Lovász’ theta computation cannot be completed. Further there are instances when our algorithm actually gave lower bound than the Lovász’ theta approach. These are the graphs MANN_a45, MANN_a81, keller4 and p_hat300-1 from which the former two are in the ta- ble, and the later two are not as they have less than 500 nodes. Obviously, there can be other cases as well among those where the Lovász’ theta could not be calcu- lated. The graphs johnson10-4-4 and p_hat300-2 gave the same bound – these two also was excluded from the table because of being too small. Note, that in several cases our algorithm gave sharp upper bound which is equal to the clique number: p_hat300-1, 202 Informatica 45 (2021) 197–204 S. Szabó et al. latin10, c-fat500-1, queen40, queen50 and san1000 graphs. Let us return to the question if the proposed algorithm can lower the upper bound provided by the base algorithm. One can see from the results that the proposed algorithm with few exceptions improves the upper bound of b-fold coloring, in some cases radically. We may conclude that there is computational evidence that the proposed algo- rithm lower the upper bound if we use more computational resources. Let us turn to the question how the proposed al- gorithm compares to the Lovász’ theta based methodology. We are getting better result only a few times. However, we were able to compute our new bound for all but two graphs that cannot be said about the Lovász’ theta number. Practically, our algorithm is so versatile that even for those cases where the upper bound could not be calculated we are able to tune it using smallerb and using smaller number of recoloring steps. Thus reducing the running time we can turn the instance calculable. Note, that one can replace the upper bounds computed by coloring the nodes of the tacti- cally chosen subgraphs by upper bounds computed by the Lovász’ theta function. The calculations involved in this situation would use much more time and need to be per- formed several thousand times. Thus we would expect it to be reasonable only using distributed computing on a super- computer, as the calculations of the values can be done independently. Acknowledgements The project has been supported by National Research, De- velopment and Innovation Office – NKFIH Fund No. SNN- 135643. References [1] E. 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We indicated by an * those cases where the program could not reach the result within 100,000 seconds, that is roughly in 24 hours. jVj density !(G) legal #( G) time (sec) b-fold DISC time (sec) % coloring #( G) (12c) DISC (12c) brock800_1 800 64.93 23 117 * > 24h 103 68 12717s brock800_2 800 65.13 24 118 * > 24h 103 68 11670s brock800_3 800 64.87 25 117 * > 24h 103 67 15414s brock800_4 800 64.97 26 118 * > 24h 103 68 9849s C500.9 500 90.05 57 139 84.20 109s 130 115 10235s C1000.9 1000 90.11 68 251 123.49 6029s 232 207 94916s C2000.5 2000 50.02 16 194 * > 24h 174 90 68024s c-fat500-1 500 3.57 14 14 * > 24h 14 14 9s DSJC500_5 500 50.20 13 58 22.74 9960s 51 28 850s DSJC1000_5 1000 50.02 15 107 * > 24h 92 49 10913s hamming10-4 1024 82.89 40 74 * > 24h 55 50 6227s johnson-12-5-4 792 95.58 80 140 99.00 130s 106 105 4318s johnson-13-4-4 715 94.96 65 115 71.50 107s 76 76 1877s johnson-13-5-4 1287 96.89 123 212 143.00 792s 155 154 19485s keller5 776 75.15 27 31 * > 24h 31 31 598s keller6 3361 81.82 59 64 * > 24h 64 63 5515s MANN_a45 1035 99.63 345 360 356.05 23s 360 353 29869s MANN_a81 3321 99.88 1100 1134 1126.62 589s 1134 1121 91875s p_hat1000-1 1000 24.48 10 52 * > 24h 46 17 4041s p_hat700-1 700 24.93 11 40 * > 24h 35 13 977s p_hat700-2 700 49.76 44 86 * > 24h 76 52 31637s p_hat700-3 700 74.80 62 129 72.00 11781s 120 87 73518s p_hat500-1 500 25.31 9 31 * > 24h 27 11 376s p_hat500-2 500 50.46 36 63 38.97 13677s 57 40 8540s p_hat500-3 500 75.19 50 101 58.57 1391s 92 67 14654s latin10 900 75.97 90 110 * > 24h 93 90 5529s queen40 1600 91.91 40 40 * > 24h 40 40 5397s queen50 2500 93.49 50 50 * > 24h 50 50 24986s san1000 1000 50.15 15 15 * > 24h 15 15 2173s 1dc.512-c 512 92.56 52 73 53.03 76s 55 54 2007s 1dc.1024-c 1024 95.41 94 137 95.98 1004s 101 99 9171s 1dc.2048-c 2048 97.22 172 262 174.73 14395s 189 186 78627s 1et.1024-c 1024 98.17 171 215 184.23 93s 191 189 94866s 1et.2048-c 2048 98.93 316 401 342.03 1026s 356 * > 24h 1tc.1024-c 1024 98.48 196 227 206.30 64s 216 212 23475s 1tc.2048-c 2048 99.10 352 420 374.64 753s 387 * > 24h 1zc.512-c 512 94.72 62 93 68.75 23s 72 71 1110s 1zc.1024-c 1024 96.82 112 180 128.67 295s 136 134 13793s 2dc.1024-c 1024 67.70 16 31 * > 24h 21 18 4024s 2dc.2048-c 2048 75.93 24 54 * > 24h 37 32 53711s monoton-9 729 83.52 28 45 34.41 5465s 41 37 13670s monoton-10 1000 85.14 32 61 * > 24h 51 46 39031s monoton-11 1331 86.47 38 69 * > 24h 63 57 52911s